(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide

C11H20N2O3S — CID 94201534

IUPAC(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
SMILESC[C@H](CC(=O)NS(=O)(=O)N1CCCC1)C1CC1
InChIInChI=1S/C11H20N2O3S/c1-9(10-4-5-10)8-11(14)12-17(15,16)13-6-2-3-7-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyANQUDRVDKXZIIF-SECBINFHSA-N
MW260.36 g/mol
LogP0.88
Rot. Bonds5

About (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide

(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 94201534) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID94201534
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide
SMILESC[C@H](CC(=O)NS(=O)(=O)N1CCCC1)C1CC1
InChIInChI=1S/C11H20N2O3S/c1-9(10-4-5-10)8-11(14)12-17(15,16)13-6-2-3-7-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1
InChIKeyANQUDRVDKXZIIF-SECBINFHSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(3-methylbutanoylsulfamoyl)piperidine-4-carboxylate
CID 47362555
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-piperidin-1-ylsulfonylacetamide
CID 59405916
4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
CID 170949041
3-(1-piperidin-1-ylsulfonylpiperidin-3-yl)butanoic acid
CID 81043263
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
N-[(1-cyanocyclopropyl)methylsulfonyl]-3-cyclohexylbutanamide
CID 146123683
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
4-(azepan-1-ylsulfonylamino)-3-methylbutanoic acid
CID 81065684
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide (CID 94201534) is (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide is C[C@H](CC(=O)NS(=O)(=O)N1CCCC1)C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is ANQUDRVDKXZIIF-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9(10-4-5-10)8-11(14)12-17(15,16)13-6-2-3-7-13/h9-10H,2-8H2,1H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide?
(3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 260.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-N-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 94201534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).