N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C14H31N3O2S2 — CID 106080313

IUPACN-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C14H31N3O2S2/c1-12(2)15-11-14-7-5-6-9-17(14)21(18,19)16-13(3)8-10-20-4/h12-16H,5-11H2,1-4H3
InChIKeyZSBBXCRAMSIWBZ-UHFFFAOYSA-N
MW337.56 g/mol
LogP1.81
Rot. Bonds9

About N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 106080313) has the molecular formula C14H31N3O2S2 and a molecular weight of 337.56 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID106080313
Molecular FormulaC14H31N3O2S2
Molecular Weight337.56 g/mol
Exact Mass337.19
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCSCCC(C)NS(=O)(=O)N1CCCCC1CNC(C)C
InChIInChI=1S/C14H31N3O2S2/c1-12(2)15-11-14-7-5-6-9-17(14)21(18,19)16-13(3)8-10-20-4/h12-16H,5-11H2,1-4H3
InChIKeyZSBBXCRAMSIWBZ-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(4-methylsulfanylbutan-2-yl)piperidine-1-sulfonamide
CID 106080127
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 106080313) is N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is CSCCC(C)NS(=O)(=O)N1CCCCC1CNC(C)C.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is ZSBBXCRAMSIWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S2/c1-12(2)15-11-14-7-5-6-9-17(14)21(18,19)16-13(3)8-10-20-4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 337.56 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106080313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).