2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide

C14H31N3O2S — CID 114816832

IUPAC2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCCCC1CNC(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-12(2)10-16-20(18,19)17-9-7-6-8-13(17)11-15-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyPQQGQKIPAOWHTR-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds6

About 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide

2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide (PubChem CID 114816832) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
PubChem CID114816832
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCCCC1CNC(C)(C)C
InChIInChI=1S/C14H31N3O2S/c1-12(2)10-16-20(18,19)17-9-7-6-8-13(17)11-15-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3
InChIKeyPQQGQKIPAOWHTR-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-tert-butyl-2-[(tert-butylamino)methyl]piperidine-1-sulfonamide
CID 114813122
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
CID 114815362
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
2-acetyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815335
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide (CID 114816832) is 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide?
The InChIKey is PQQGQKIPAOWHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(2)10-16-20(18,19)17-9-7-6-8-13(17)11-15-14(3,4)5/h12-13,15-16H,6-11H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide?
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide has a molecular weight of 305.49 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114816832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).