1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide

C17H24N2O3S — CID 119784532

IUPAC1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1
InChIInChI=1S/C17H24N2O3S/c18-17(9-10-17)16(20)19-14-6-4-5-13(11-14)12-23(21,22)15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12,18H2,(H,19,20)
InChIKeyUSPZZPOEDYOGAY-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.36
Rot. Bonds5

About 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide

1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 119784532) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID119784532
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1
InChIInChI=1S/C17H24N2O3S/c18-17(9-10-17)16(20)19-14-6-4-5-13(11-14)12-23(21,22)15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12,18H2,(H,19,20)
InChIKeyUSPZZPOEDYOGAY-UHFFFAOYSA-N
XLogP2.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
CID 86940159
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
CID 120632747
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119869772
1-amino-N-[3-(cyclopropanecarbonylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119710445

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide (CID 119784532) is 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide is NC1(C(=O)Nc2cccc(CS(=O)(=O)C3CCCCC3)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is USPZZPOEDYOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c18-17(9-10-17)16(20)19-14-6-4-5-13(11-14)12-23(21,22)15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12,18H2,(H,19,20).
What are the key properties of 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119784532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).