(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide

C10H13FN2OS2 — CID 163226360

IUPAC(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(C#N)c(F)s1
InChIInChI=1S/C10H13FN2OS2/c1-10(2,3)16(14)13-6-8-4-7(5-12)9(11)15-8/h4,13H,6H2,1-3H3/t16-/m0/s1
InChIKeyGTRNJTCSQDWDHM-INIZCTEOSA-N
MW260.36 g/mol
LogP2.31
Rot. Bonds3

About (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide

(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 163226360) has the molecular formula C10H13FN2OS2 and a molecular weight of 260.36 g/mol. Its IUPAC name is (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID163226360
Molecular FormulaC10H13FN2OS2
Molecular Weight260.36 g/mol
Exact Mass260.05
IUPAC Name(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(C#N)c(F)s1
InChIInChI=1S/C10H13FN2OS2/c1-10(2,3)16(14)13-6-8-4-7(5-12)9(11)15-8/h4,13H,6H2,1-3H3/t16-/m0/s1
InChIKeyGTRNJTCSQDWDHM-INIZCTEOSA-N
XLogP2.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide (CID 163226360) is (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NCc1cc(C#N)c(F)s1.
What is the InChIKey of (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GTRNJTCSQDWDHM-INIZCTEOSA-N. The full InChI is InChI=1S/C10H13FN2OS2/c1-10(2,3)16(14)13-6-8-4-7(5-12)9(11)15-8/h4,13H,6H2,1-3H3/t16-/m0/s1.
What are the key properties of (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 260.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(4-cyano-5-fluorothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163226360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).