N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride

C14H24ClN3O3S2 — CID 119980807

IUPACN-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NC2(CN)CCCC2)s1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-11(18)16-9-6-12-4-5-13(21-12)22(19,20)17-14(10-15)7-2-3-8-14;/h4-5,17H,2-3,6-10,15H2,1H3,(H,16,18);1H
InChIKeyGPNPBBYLOVPAOG-UHFFFAOYSA-N
MW381.95 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride

N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride (PubChem CID 119980807) has the molecular formula C14H24ClN3O3S2 and a molecular weight of 381.95 g/mol. Its IUPAC name is N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
PubChem CID119980807
Molecular FormulaC14H24ClN3O3S2
Molecular Weight381.95 g/mol
Exact Mass381.09
IUPAC NameN-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NC2(CN)CCCC2)s1.Cl
InChIInChI=1S/C14H23N3O3S2.ClH/c1-11(18)16-9-6-12-4-5-13(21-12)22(19,20)17-14(10-15)7-2-3-8-14;/h4-5,17H,2-3,6-10,15H2,1H3,(H,16,18);1H
InChIKeyGPNPBBYLOVPAOG-UHFFFAOYSA-N
XLogP1.40
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.95
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
2-acetamido-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 61128464
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 120717360
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
1-amino-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119319144
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136
2-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiolane-2-carboxamide
CID 81450580
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride (CID 119980807) is N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccc(S(=O)(=O)NC2(CN)CCCC2)s1.Cl.
What is the InChIKey of N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
The InChIKey is GPNPBBYLOVPAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2.ClH/c1-11(18)16-9-6-12-4-5-13(21-12)22(19,20)17-14(10-15)7-2-3-8-14;/h4-5,17H,2-3,6-10,15H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride?
N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride has a molecular weight of 381.95 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119980807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).