2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide

C14H31N3O2S — CID 106066812

IUPAC2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)N1CCCCC1CNC
InChIInChI=1S/C14H31N3O2S/c1-5-12(2)10-13(3)16-20(18,19)17-9-7-6-8-14(17)11-15-4/h12-16H,5-11H2,1-4H3
InChIKeyMSTCMGGHAOYSRM-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds8

About 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide

2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide (PubChem CID 106066812) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
PubChem CID106066812
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
SMILESCCC(C)CC(C)NS(=O)(=O)N1CCCCC1CNC
InChIInChI=1S/C14H31N3O2S/c1-5-12(2)10-13(3)16-20(18,19)17-9-7-6-8-14(17)11-15-4/h12-16H,5-11H2,1-4H3
InChIKeyMSTCMGGHAOYSRM-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-imidazol-2-yl)propyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106083500
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
(2S)-N-[(2R)-butan-2-yl]-2-methylpiperidine-1-sulfonamide
CID 95277876
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
2-[(cyclopropylamino)methyl]-N-[1-(dimethylamino)propan-2-yl]piperidine-1-sulfonamide
CID 106074286
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106071092

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide (CID 106066812) is 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide is CCC(C)CC(C)NS(=O)(=O)N1CCCCC1CNC.
What is the InChIKey of 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide?
The InChIKey is MSTCMGGHAOYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-12(2)10-13(3)16-20(18,19)17-9-7-6-8-14(17)11-15-4/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide?
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106066812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).