(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide

C13H18FN5OS — CID 129073637

IUPAC(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C13H18FN5OS/c1-9(18-21(20)13(2,3)4)11-6-16-12(7-15-11)19-8-10(14)5-17-19/h5-9,18H,1-4H3/t9-,21+/m0/s1
InChIKeyLWJBITGZWMGMFF-JLTPVHFHSA-N
MW311.39 g/mol
LogP1.91
Rot. Bonds4

About (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 129073637) has the molecular formula C13H18FN5OS and a molecular weight of 311.39 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID129073637
Molecular FormulaC13H18FN5OS
Molecular Weight311.39 g/mol
Exact Mass311.12
IUPAC Name(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)cn1
InChIInChI=1S/C13H18FN5OS/c1-9(18-21(20)13(2,3)4)11-6-16-12(7-15-11)19-8-10(14)5-17-19/h5-9,18H,1-4H3/t9-,21+/m0/s1
InChIKeyLWJBITGZWMGMFF-JLTPVHFHSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 129073637) is (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1cnc(-n2cc(F)cn2)cn1.
What is the InChIKey of (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LWJBITGZWMGMFF-JLTPVHFHSA-N. The full InChI is InChI=1S/C13H18FN5OS/c1-9(18-21(20)13(2,3)4)11-6-16-12(7-15-11)19-8-10(14)5-17-19/h5-9,18H,1-4H3/t9-,21+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 311.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[5-(4-fluoropyrazol-1-yl)pyrazin-2-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 129073637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).