N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide

C15H26N2O2S — CID 107206887

IUPACN-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CCCCCN)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-14(15-9-5-3-6-10-15)13-20(18,19)17(2)12-8-4-7-11-16/h3,5-6,9-10,14H,4,7-8,11-13,16H2,1-2H3
InChIKeyRJTCVLPDXLPKJZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.18
Rot. Bonds9

About N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide

N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide (PubChem CID 107206887) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
PubChem CID107206887
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)CCCCCN)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-14(15-9-5-3-6-10-15)13-20(18,19)17(2)12-8-4-7-11-16/h3,5-6,9-10,14H,4,7-8,11-13,16H2,1-2H3
InChIKeyRJTCVLPDXLPKJZ-UHFFFAOYSA-N
XLogP2.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
N'-methyl-N'-(1-phenylethyl)butane-1,4-diamine
CID 112509797
(2R)-N-(4-aminocyclohexyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 99647030
2-[carboxymethyl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80690137
N-[(3-bromocyclobutyl)methyl]-N-methyl-2-phenylpropane-1-sulfonamide
CID 80687836
N-butyl-N-(2-chloroethyl)-2-phenylpropane-1-sulfonamide
CID 80687556
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-phenylpropane-1-sulfonic acid
CID 18989058
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80691123
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide (CID 107206887) is N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)CCCCCN)c1ccccc1.
What is the InChIKey of N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The InChIKey is RJTCVLPDXLPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-14(15-9-5-3-6-10-15)13-20(18,19)17(2)12-8-4-7-11-16/h3,5-6,9-10,14H,4,7-8,11-13,16H2,1-2H3.
What are the key properties of N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide?
N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyl-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 107206887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).