N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide

C9H17N3O2S — CID 61122119

IUPACN-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-3-9(2,8-10)11-15(13,14)12-6-4-5-7-12/h11H,3-7H2,1-2H3
InChIKeyCTXRUINEYIJRIR-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.61
Rot. Bonds4

About N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide

N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 61122119) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID61122119
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H17N3O2S/c1-3-9(2,8-10)11-15(13,14)12-6-4-5-7-12/h11H,3-7H2,1-2H3
InChIKeyCTXRUINEYIJRIR-UHFFFAOYSA-N
XLogP0.61
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanopropan-2-yl)azepane-1-sulfonamide
CID 61125739
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006
N-(2-cyanobutan-2-yl)cyclohexanesulfonamide
CID 61122113
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
CID 107848008
N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 115310584
2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
CID 61262486
N-methylazocane-1-sulfonamide
CID 130686123
N-methylazepane-1-sulfonamide
CID 28784575
N-ethylazepane-1-sulfonamide
CID 43213421
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
2-methyl-2-piperidin-1-ylbutanenitrile
CID 43802933
N-(2-bromo-4,4-dimethylpentyl)pyrrolidine-1-sulfonamide
CID 107158123

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide (CID 61122119) is N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide is CCC(C)(C#N)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is CTXRUINEYIJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-9(2,8-10)11-15(13,14)12-6-4-5-7-12/h11H,3-7H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide?
N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61122119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).