2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide

C14H24N4O2S — CID 106076104

IUPAC2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H24N4O2S/c1-2-12-6-5-8-16-14(12)11-17-21(19,20)18-9-4-3-7-13(18)10-15/h5-6,8,13,17H,2-4,7,9-11,15H2,1H3
InChIKeySQLSUNIHIGRLKQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.79
Rot. Bonds6

About 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide

2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide (PubChem CID 106076104) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
PubChem CID106076104
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C14H24N4O2S/c1-2-12-6-5-8-16-14(12)11-17-21(19,20)18-9-4-3-7-13(18)10-15/h5-6,8,13,17H,2-4,7,9-11,15H2,1H3
InChIKeySQLSUNIHIGRLKQ-UHFFFAOYSA-N
XLogP0.79
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 205586
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
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(-)-Anatabine
CID 11388
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
Lanicemine
CID 9794203
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
1-(2-Pyridyl)-2-(3-pyridyl)-ethylene
CID 5374801
trans-2,4'-Vinylenedipyridine
CID 6303920
N-Desmethylpheniramine
CID 161283
Amd-8664
CID 483559

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide (CID 106076104) is 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide is CCc1cccnc1CNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
The InChIKey is SQLSUNIHIGRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-12-6-5-8-16-14(12)11-17-21(19,20)18-9-4-3-7-13(18)10-15/h5-6,8,13,17H,2-4,7,9-11,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide?
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106076104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).