N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide

C16H28N2O2S — CID 115317658

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CCC(N)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2O2S/c1-13(2)16(17)10-11-18(4)21(19,20)12-14(3)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3
InChIKeyHJITWVGHPKJXJG-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.43
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide

N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide (PubChem CID 115317658) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
PubChem CID115317658
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CCC(N)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2O2S/c1-13(2)16(17)10-11-18(4)21(19,20)12-14(3)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3
InChIKeyHJITWVGHPKJXJG-UHFFFAOYSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 107206887
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992025
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N-(3-amino-4-methylpentyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 115317614
1-N,4-dimethyl-1-N-(1-phenylbutyl)pentane-1,3-diamine
CID 115317343
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 99647030
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
2-[carboxymethyl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80690137
N-[(3-bromocyclobutyl)methyl]-N-methyl-2-phenylpropane-1-sulfonamide
CID 80687836

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide (CID 115317658) is N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)CCC(N)C(C)C)c1ccccc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The InChIKey is HJITWVGHPKJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-13(2)16(17)10-11-18(4)21(19,20)12-14(3)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,17H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 115317658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).