N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide

C16H26N2O2S — CID 80505534

IUPACN-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
SMILESNC(CCNS(=O)(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c17-16(15-9-5-2-6-10-15)11-12-18-21(19,20)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,17H2
InChIKeyOVIUTBCJGHIDOK-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.58
Rot. Bonds7

About N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide

N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide (PubChem CID 80505534) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
PubChem CID80505534
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
SMILESNC(CCNS(=O)(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c17-16(15-9-5-2-6-10-15)11-12-18-21(19,20)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,17H2
InChIKeyOVIUTBCJGHIDOK-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
N-(3-amino-3-phenylpropyl)-2-methoxyethanesulfonamide
CID 80506787
2-cycloheptyl-1-phenylethanamine
CID 21261900
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
N'-cyclopentyl-1-phenylbutane-1,4-diamine
CID 63321714
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 119998764

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide (CID 80505534) is N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide is NC(CCNS(=O)(=O)CC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is OVIUTBCJGHIDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c17-16(15-9-5-2-6-10-15)11-12-18-21(19,20)13-14-7-3-1-4-8-14/h2,5-6,9-10,14,16,18H,1,3-4,7-8,11-13,17H2.
What are the key properties of N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide?
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 80505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).