N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide

C12H26N2O2S — CID 54973926

IUPACN-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCCC(NS(=O)(=O)CC1CCCCN1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-4-12(10(2)3)14-17(15,16)9-11-7-5-6-8-13-11/h10-14H,4-9H2,1-3H3
InChIKeyYSXGIZSPKWIFHV-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.48
Rot. Bonds6

About N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide

N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54973926) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54973926
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCCC(NS(=O)(=O)CC1CCCCN1)C(C)C
InChIInChI=1S/C12H26N2O2S/c1-4-12(10(2)3)14-17(15,16)9-11-7-5-6-8-13-11/h10-14H,4-9H2,1-3H3
InChIKeyYSXGIZSPKWIFHV-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 104828885
N-(1-methylsulfonylpropan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64641695
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpentan-3-amine
CID 79559883
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
2-methyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106638144
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
2-ethylpiperidine;hydrobromide
CID 131717239
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-(piperidin-2-ylmethylsulfamoyl)propan-2-amine
CID 114807413
2-methyl-N-(3-methyl-1-piperidin-2-ylbutan-2-yl)propanamide
CID 163271220

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide (CID 54973926) is N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide is CCC(NS(=O)(=O)CC1CCCCN1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is YSXGIZSPKWIFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-12(10(2)3)14-17(15,16)9-11-7-5-6-8-13-11/h10-14H,4-9H2,1-3H3.
What are the key properties of N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).