N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide

C12H23N3O2S — CID 61122124

IUPACN-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-9-7-6-8-11(15)3/h11,14H,4-9H2,1-3H3
InChIKeyJBJWWBSDTYYDAX-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.78
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide

N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide (PubChem CID 61122124) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide
PubChem CID61122124
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-9-7-6-8-11(15)3/h11,14H,4-9H2,1-3H3
InChIKeyJBJWWBSDTYYDAX-UHFFFAOYSA-N
XLogP1.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)piperidine-1-sulfonamide
CID 126657702
N-(2-methylhexan-2-yl)piperidine-1-sulfonamide
CID 138623370
1-Propan-2-yl-4-(sulfanylamino)piperidine-4-carbonitrile
CID 155238409
4-Cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
CID 54947100
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947882
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 54996496
N-(1-cyanopropyl)piperidine-1-sulfonamide
CID 55137933
N-(2-cyanopropan-2-yl)piperidine-1-sulfonamide
CID 55138927
4-Cyano-4-(dimethylsulfamoylamino)-1-methylpiperidine
CID 55139325
N-(1-cyanopropan-2-yl)-N,2-dimethylpiperidine-1-sulfonamide
CID 55175318
N-(1-cyanopropan-2-yl)-2-methylpiperidine-1-sulfonamide
CID 55209316
N-(1-cyanobutan-2-yl)piperidine-1-sulfonamide
CID 55210230

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide (CID 61122124) is N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is JBJWWBSDTYYDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-9-7-6-8-11(15)3/h11,14H,4-9H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide?
N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).