1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride

C16H28ClN3O3S2 — CID 119319144

IUPAC1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2(N)CCCC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-3-19(4-2)24(21,22)14-8-7-13(23-14)9-12-18-15(20)16(17)10-5-6-11-16;/h7-8H,3-6,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeySYMJVFYKALZMIE-UHFFFAOYSA-N
MW410.01 g/mol
LogP2.13
Rot. Bonds8

About 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119319144) has the molecular formula C16H28ClN3O3S2 and a molecular weight of 410.01 g/mol. Its IUPAC name is 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119319144
Molecular FormulaC16H28ClN3O3S2
Molecular Weight410.01 g/mol
Exact Mass409.13
IUPAC Name1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2(N)CCCC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-3-19(4-2)24(21,22)14-8-7-13(23-14)9-12-18-15(20)16(17)10-5-6-11-16;/h7-8H,3-6,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeySYMJVFYKALZMIE-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-methoxybutanamide;hydrochloride
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1-butyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
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1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
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N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
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1-benzyl-3-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylguanidine;hydroiodide
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1-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-3-ethyl-2-pentylguanidine
CID 111128559
N-tert-butyl-2-[[[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111384419
N,N-diethyl-5-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119319144) is 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2(N)CCCC2)s1.Cl.
What is the InChIKey of 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is SYMJVFYKALZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2.ClH/c1-3-19(4-2)24(21,22)14-8-7-13(23-14)9-12-18-15(20)16(17)10-5-6-11-16;/h7-8H,3-6,9-12,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 410.01 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119319144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).