(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C15H20FN3OS — CID 90347565

IUPAC(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(-c2cn[nH]c2)cc1F
InChIInChI=1S/C15H20FN3OS/c1-10(19-21(20)15(2,3)4)13-6-5-11(7-14(13)16)12-8-17-18-9-12/h5-10,19H,1-4H3,(H,17,18)/t10-,21+/m0/s1
InChIKeyWRMBCIRNIXBADE-CHNSCGDPSA-N
MW309.41 g/mol
LogP3.33
Rot. Bonds4

About (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 90347565) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID90347565
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](N[S@](=O)C(C)(C)C)c1ccc(-c2cn[nH]c2)cc1F
InChIInChI=1S/C15H20FN3OS/c1-10(19-21(20)15(2,3)4)13-6-5-11(7-14(13)16)12-8-17-18-9-12/h5-10,19H,1-4H3,(H,17,18)/t10-,21+/m0/s1
InChIKeyWRMBCIRNIXBADE-CHNSCGDPSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 90347565) is (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is C[C@H](N[S@](=O)C(C)(C)C)c1ccc(-c2cn[nH]c2)cc1F.
What is the InChIKey of (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is WRMBCIRNIXBADE-CHNSCGDPSA-N. The full InChI is InChI=1S/C15H20FN3OS/c1-10(19-21(20)15(2,3)4)13-6-5-11(7-14(13)16)12-8-17-18-9-12/h5-10,19H,1-4H3,(H,17,18)/t10-,21+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 309.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90347565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).