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

C12H24N2O2S — CID 114111424

IUPACN-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C)(NS(=O)(=O)CC1CCCNC1)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2,11-5-6-11)14-17(15,16)9-10-4-3-7-13-8-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyDOAGVPURKGDXPU-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.09
Rot. Bonds5

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

N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 114111424) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID114111424
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCC(C)(NS(=O)(=O)CC1CCCNC1)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-12(2,11-5-6-11)14-17(15,16)9-10-4-3-7-13-8-10/h10-11,13-14H,3-9H2,1-2H3
InChIKeyDOAGVPURKGDXPU-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-piperidin-3-ylethanesulfonamide
CID 115046359
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114116779
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477
4-tert-butyl-1-(piperidin-3-ylmethylsulfonyl)piperidine
CID 62085436
3-(2,2-dimethylpropyl)piperidine
CID 21041533
N-(2-methyl-2-thiophen-2-ylpropyl)-1-piperidin-3-ylmethanesulfonamide
CID 80528334
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
2-(methanesulfonamido)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119558362

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide (CID 114111424) is N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide is CC(C)(NS(=O)(=O)CC1CCCNC1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is DOAGVPURKGDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2,11-5-6-11)14-17(15,16)9-10-4-3-7-13-8-10/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 114111424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).