N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide

C15H25N3O2S — CID 43318689

IUPACN-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccccc1N(CCCN)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-14-8-3-4-9-15(14)18(13-7-10-16)21(19,20)17-11-5-2-6-12-17/h3-4,8-9H,2,5-7,10-13,16H2,1H3
InChIKeyWGOVFJIOTJFILP-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.88
Rot. Bonds6

About N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide

N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide (PubChem CID 43318689) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
PubChem CID43318689
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccccc1N(CCCN)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-14-8-3-4-9-15(14)18(13-7-10-16)21(19,20)17-11-5-2-6-12-17/h3-4,8-9H,2,5-7,10-13,16H2,1H3
InChIKeyWGOVFJIOTJFILP-UHFFFAOYSA-N
XLogP1.88
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
CID 43318687
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-(3-aminopropyl)-2-methoxy-N-(2-methylphenyl)ethanesulfonamide
CID 55009877
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 43136959
N-(2-hydroxyethyl)-N-phenylpiperidine-1-sulfonamide
CID 111462838
2-(2-amino-N-pyrrolidin-1-ylsulfonylanilino)acetic acid
CID 63118246
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 60922991
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide (CID 43318689) is N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide is Cc1ccccc1N(CCCN)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is WGOVFJIOTJFILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14-8-3-4-9-15(14)18(13-7-10-16)21(19,20)17-11-5-2-6-12-17/h3-4,8-9H,2,5-7,10-13,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide?
N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43318689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).