2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide

C13H26N4O3S — CID 77044621

IUPAC2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCC1CCN(S(=O)(=O)N(CC(N)=NO)C2CCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-11-6-8-16(9-7-11)21(19,20)17(10-13(14)15-18)12-4-2-3-5-12/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyXMFNMLUACCNZAA-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.95
Rot. Bonds5

About 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide

2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide (PubChem CID 77044621) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide
PubChem CID77044621
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESCC1CCN(S(=O)(=O)N(CC(N)=NO)C2CCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-11-6-8-16(9-7-11)21(19,20)17(10-13(14)15-18)12-4-2-3-5-12/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyXMFNMLUACCNZAA-UHFFFAOYSA-N
XLogP0.95
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044834
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
N-(2-chloroethyl)-N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 63396683
2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxyethanimidamide
CID 77038132
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
2-[cyclopentyl(2-methoxyethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978825
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
2-[cyclopentyl-(1-ethylimidazol-4-yl)sulfonylamino]-N'-hydroxyethanimidamide
CID 79369865
2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76928932
2-[cyclopentyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 54925872
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide (CID 77044621) is 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide is CC1CCN(S(=O)(=O)N(CC(N)=NO)C2CCCC2)CC1.
What is the InChIKey of 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide?
The InChIKey is XMFNMLUACCNZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-11-6-8-16(9-7-11)21(19,20)17(10-13(14)15-18)12-4-2-3-5-12/h11-12,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide?
2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide has a molecular weight of 318.44 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77044621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).