N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide

C15H24N2O3S — CID 167846855

IUPACN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-10-12(20-4)8-9-15(11)21(18,19)16-13-6-5-7-14(13)17(2)3/h8-10,13-14,16H,5-7H2,1-4H3/t13-,14-/m1/s1
InChIKeyYAWODDFEYYPSMW-ZIAGYGMSSA-N
MW312.44 g/mol
LogP1.76
Rot. Bonds5

About N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide

N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 167846855) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID167846855
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-11-10-12(20-4)8-9-15(11)21(18,19)16-13-6-5-7-14(13)17(2)3/h8-10,13-14,16H,5-7H2,1-4H3/t13-,14-/m1/s1
InChIKeyYAWODDFEYYPSMW-ZIAGYGMSSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868839
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 126809966
N-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 97255319
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide (CID 167846855) is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2N(C)C)c(C)c1.
What is the InChIKey of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is YAWODDFEYYPSMW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-10-12(20-4)8-9-15(11)21(18,19)16-13-6-5-7-14(13)17(2)3/h8-10,13-14,16H,5-7H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 167846855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).