(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide

C10H13BrF3NOS2 — CID 163225558

IUPAC(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(Br)c(C(F)(F)F)s1
InChIInChI=1S/C10H13BrF3NOS2/c1-9(2,3)18(16)15-5-6-4-7(11)8(17-6)10(12,13)14/h4,15H,5H2,1-3H3/t18-/m0/s1
InChIKeyNXENTCKSAATIDT-SFHVURJKSA-N
MW364.25 g/mol
LogP4.08
Rot. Bonds3

About (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide

(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide (PubChem CID 163225558) has the molecular formula C10H13BrF3NOS2 and a molecular weight of 364.25 g/mol. Its IUPAC name is (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide
PubChem CID163225558
Molecular FormulaC10H13BrF3NOS2
Molecular Weight364.25 g/mol
Exact Mass362.96
IUPAC Name(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(Br)c(C(F)(F)F)s1
InChIInChI=1S/C10H13BrF3NOS2/c1-9(2,3)18(16)15-5-6-4-7(11)8(17-6)10(12,13)14/h4,15H,5H2,1-3H3/t18-/m0/s1
InChIKeyNXENTCKSAATIDT-SFHVURJKSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide (CID 163225558) is (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NCc1cc(Br)c(C(F)(F)F)s1.
What is the InChIKey of (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NXENTCKSAATIDT-SFHVURJKSA-N. The full InChI is InChI=1S/C10H13BrF3NOS2/c1-9(2,3)18(16)15-5-6-4-7(11)8(17-6)10(12,13)14/h4,15H,5H2,1-3H3/t18-/m0/s1.
What are the key properties of (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide?
(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 364.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163225558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).