(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide

C13H18FN5OS — CID 140783917

IUPAC(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C13H18FN5OS/c1-9(4-13(2,3)21(15)20)11-6-17-12(7-16-11)19-8-10(14)5-18-19/h5-9H,4,15H2,1-3H3/t9-,21?/m0/s1
InChIKeyGYGDYDKBUFCVRR-BZEUWDEWSA-N
MW311.39 g/mol
LogP1.70
Rot. Bonds5

About (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide

(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide (PubChem CID 140783917) has the molecular formula C13H18FN5OS and a molecular weight of 311.39 g/mol. Its IUPAC name is (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide
PubChem CID140783917
Molecular FormulaC13H18FN5OS
Molecular Weight311.39 g/mol
Exact Mass311.12
IUPAC Name(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide
SMILESC[C@@H](CC(C)(C)S(N)=O)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C13H18FN5OS/c1-9(4-13(2,3)21(15)20)11-6-17-12(7-16-11)19-8-10(14)5-18-19/h5-9H,4,15H2,1-3H3/t9-,21?/m0/s1
InChIKeyGYGDYDKBUFCVRR-BZEUWDEWSA-N
XLogP1.70
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide?
The IUPAC name of (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide (CID 140783917) is (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide is C[C@@H](CC(C)(C)S(N)=O)c1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide?
The InChIKey is GYGDYDKBUFCVRR-BZEUWDEWSA-N. The full InChI is InChI=1S/C13H18FN5OS/c1-9(4-13(2,3)21(15)20)11-6-17-12(7-16-11)19-8-10(14)5-18-19/h5-9H,4,15H2,1-3H3/t9-,21?/m0/s1.
What are the key properties of (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide?
(4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide has a molecular weight of 311.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 140783917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).