3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide

C13H29N3O2S — CID 106079419

IUPAC3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C13H29N3O2S/c1-5-8-13(2,3)15-19(17,18)16-9-6-7-12(11-16)10-14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyHOSMWSNXZJSVAS-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.33
Rot. Bonds7

About 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide

3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide (PubChem CID 106079419) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
PubChem CID106079419
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
SMILESCCCC(C)(C)NS(=O)(=O)N1CCCC(CNC)C1
InChIInChI=1S/C13H29N3O2S/c1-5-8-13(2,3)15-19(17,18)16-9-6-7-12(11-16)10-14-4/h12,14-15H,5-11H2,1-4H3
InChIKeyHOSMWSNXZJSVAS-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 106031594
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
3-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106091198
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106067908
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide (CID 106079419) is 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide is CCCC(C)(C)NS(=O)(=O)N1CCCC(CNC)C1.
What is the InChIKey of 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide?
The InChIKey is HOSMWSNXZJSVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-8-13(2,3)15-19(17,18)16-9-6-7-12(11-16)10-14-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide?
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106079419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).