2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

C18H35N5O4S — CID 110050022

IUPAC2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C18H35N5O4S/c1-22(2)17(24)13-20-18(19-10-12-27-3)23-11-6-9-16(14-23)28(25,26)21-15-7-4-5-8-15/h15-16,21H,4-14H2,1-3H3,(H,19,20)
InChIKeyRNIZDCOBMJEMHN-UHFFFAOYSA-N
MW417.58 g/mol
LogP-0.01
Rot. Bonds8

About 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110050022) has the molecular formula C18H35N5O4S and a molecular weight of 417.58 g/mol. Its IUPAC name is 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110050022
Molecular FormulaC18H35N5O4S
Molecular Weight417.58 g/mol
Exact Mass417.24
IUPAC Name2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N1CCCC(S(=O)(=O)NC2CCCC2)C1
InChIInChI=1S/C18H35N5O4S/c1-22(2)17(24)13-20-18(19-10-12-27-3)23-11-6-9-16(14-23)28(25,26)21-15-7-4-5-8-15/h15-16,21H,4-14H2,1-3H3,(H,19,20)
InChIKeyRNIZDCOBMJEMHN-UHFFFAOYSA-N
XLogP-0.01
TPSA103.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-[3-(cyclopentylsulfamoyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110050010
2-[[(cyclopentylamino)-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110038409
2-[[(cyclopentylamino)-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038408
2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110037309
2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041963
2-[[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038469
N,N-dimethyl-2-[[(3-methylpiperidin-1-yl)-(2-methylpropylamino)methylidene]amino]acetamide
CID 110037299
2-[[(2-methoxyethylamino)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044406
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
2-[[(cyclopentylamino)-[4-(3-methoxypropoxy)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043976
2-[[(cyclopentylamino)-(3-cyclopropylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 86791763
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110050022) is 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is COCCN/C(=N\CC(=O)N(C)C)N1CCCC(S(=O)(=O)NC2CCCC2)C1.
What is the InChIKey of 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is RNIZDCOBMJEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O4S/c1-22(2)17(24)13-20-18(19-10-12-27-3)23-11-6-9-16(14-23)28(25,26)21-15-7-4-5-8-15/h15-16,21H,4-14H2,1-3H3,(H,19,20).
What are the key properties of 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 417.58 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(cyclopentylsulfamoyl)piperidin-1-yl]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110050022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).