(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide

C16H26N2O2S — CID 99647030

IUPAC(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESC[C@@H](CS(=O)(=O)N(C)C1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-13(14-6-4-3-5-7-14)12-21(19,20)18(2)16-10-8-15(17)9-11-16/h3-7,13,15-16H,8-12,17H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyANKTYZZXXKWRAV-JEYLPNPQSA-N
MW310.46 g/mol
LogP2.32
Rot. Bonds5

About (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide

(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide (PubChem CID 99647030) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
PubChem CID99647030
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESC[C@@H](CS(=O)(=O)N(C)C1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C16H26N2O2S/c1-13(14-6-4-3-5-7-14)12-21(19,20)18(2)16-10-8-15(17)9-11-16/h3-7,13,15-16H,8-12,17H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyANKTYZZXXKWRAV-JEYLPNPQSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromocyclobutyl)methyl]-N-methyl-2-phenylpropane-1-sulfonamide
CID 80687836
N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 107206887
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(4-aminocyclohexyl)-N-methyl-1-methylsulfonylmethanesulfonamide
CID 82839682
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
2-[carboxymethyl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80690137
methyl 3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoate
CID 79114920
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide (CID 99647030) is (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide is C[C@@H](CS(=O)(=O)N(C)C1CCC(N)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The InChIKey is ANKTYZZXXKWRAV-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-13(14-6-4-3-5-7-14)12-21(19,20)18(2)16-10-8-15(17)9-11-16/h3-7,13,15-16H,8-12,17H2,1-2H3/t13-,15?,16?/m0/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide?
(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 99647030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).