2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide

C15H25N3O2S — CID 106067849

IUPAC2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C15H25N3O2S/c1-2-13-7-3-4-8-14(13)12-17-21(19,20)18-10-6-5-9-15(18)11-16/h3-4,7-8,15,17H,2,5-6,9-12,16H2,1H3
InChIKeyQBCGJWDUTYWZIF-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.40
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide (PubChem CID 106067849) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
PubChem CID106067849
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C15H25N3O2S/c1-2-13-7-3-4-8-14(13)12-17-21(19,20)18-10-6-5-9-15(18)11-16/h3-4,7-8,15,17H,2,5-6,9-12,16H2,1H3
InChIKeyQBCGJWDUTYWZIF-UHFFFAOYSA-N
XLogP1.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106076104
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106085863
2-(aminomethyl)-N-(1-phenylethyl)piperidine-1-sulfonamide
CID 106036389
2-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018354
2-(aminomethyl)-N-(2,3-dihydro-1H-inden-2-yl)piperidine-1-sulfonamide
CID 106087856
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969227
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-(4-propylphenyl)piperidine-1-sulfonamide
CID 106026481
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide (CID 106067849) is 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide is CCc1ccccc1CNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide?
The InChIKey is QBCGJWDUTYWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-13-7-3-4-8-14(13)12-17-21(19,20)18-10-6-5-9-15(18)11-16/h3-4,7-8,15,17H,2,5-6,9-12,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106067849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).