(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide

C13H22N4O3S — CID 97150944

IUPAC(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
SMILESCC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyLOACSGAMBWMKBE-LBPRGKRZSA-N
MW314.41 g/mol
LogP0.38
Rot. Bonds7

About (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide

(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide (PubChem CID 97150944) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
PubChem CID97150944
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
SMILESCC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1
InChIInChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1
InChIKeyLOACSGAMBWMKBE-LBPRGKRZSA-N
XLogP0.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The IUPAC name of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide (CID 97150944) is (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide.
What is the SMILES notation for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The canonical SMILES for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide is CC[C@@H](C(=O)NCCS(=O)(=O)N1CCCC1)n1cccn1.
What is the InChIKey of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
The InChIKey is LOACSGAMBWMKBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-2-12(17-10-5-6-15-17)13(18)14-7-11-21(19,20)16-8-3-4-9-16/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,14,18)/t12-/m0/s1.
What are the key properties of (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide?
(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide has a molecular weight of 314.41 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide is sourced from PubChem (CID 97150944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).