N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C14H31N3O2S — CID 106059248

IUPACN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)CCNS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C14H31N3O2S/c1-12(2)8-9-16-20(18,19)17-10-6-5-7-14(17)11-15-13(3)4/h12-16H,5-11H2,1-4H3
InChIKeyQNUFUQLQRVONJS-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds8

About N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 106059248) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID106059248
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC NameN-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)CCNS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C14H31N3O2S/c1-12(2)8-9-16-20(18,19)17-10-6-5-7-14(17)11-15-13(3)4/h12-16H,5-11H2,1-4H3
InChIKeyQNUFUQLQRVONJS-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-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 106059248) is N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is CC(C)CCNS(=O)(=O)N1CCCCC1CNC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is QNUFUQLQRVONJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-12(2)8-9-16-20(18,19)17-10-6-5-7-14(17)11-15-13(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]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 N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106059248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).