1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide

C16H25N3O3S — CID 119685728

IUPAC1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyDKFNVWSRKZPTDN-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.83
Rot. Bonds6

About 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119685728) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119685728
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyDKFNVWSRKZPTDN-UHFFFAOYSA-N
XLogP1.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
1-(aminomethyl)-N-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxamide
CID 115182510
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide (CID 119685728) is 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C2(CN)CCCC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is DKFNVWSRKZPTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)14-7-5-13(6-8-14)18-15(20)16(11-17)9-3-4-10-16/h5-8,12,19H,3-4,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119685728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).