(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide

C9H14BrNOS2 — CID 163224948

IUPAC(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS2/c1-9(2,3)14(12)11-5-8-4-7(10)6-13-8/h4,6,11H,5H2,1-3H3/t14-/m0/s1
InChIKeySOQTZLKBJRNYJR-AWEZNQCLSA-N
MW296.26 g/mol
LogP3.06
Rot. Bonds3

About (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide

(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 163224948) has the molecular formula C9H14BrNOS2 and a molecular weight of 296.26 g/mol. Its IUPAC name is (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID163224948
Molecular FormulaC9H14BrNOS2
Molecular Weight296.26 g/mol
Exact Mass294.97
IUPAC Name(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)NCc1cc(Br)cs1
InChIInChI=1S/C9H14BrNOS2/c1-9(2,3)14(12)11-5-8-4-7(10)6-13-8/h4,6,11H,5H2,1-3H3/t14-/m0/s1
InChIKeySOQTZLKBJRNYJR-AWEZNQCLSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[[4-bromo-5-(trifluoromethyl)thiophen-2-yl]methyl]-2-methylpropane-2-sulfinamide
CID 163225558
2-[(4-bromothiophen-2-yl)methylamino]-2-methylpropanoic acid
CID 65263735
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
methyl (3S)-3-(4-bromothiophen-2-yl)-3-[[(R)-tert-butylsulfinyl]amino]butanoate
CID 59764170
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine
CID 62578173
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
CID 155213884
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 163225327
N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115910602
N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28833335
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide (CID 163224948) is (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NCc1cc(Br)cs1.
What is the InChIKey of (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SOQTZLKBJRNYJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C9H14BrNOS2/c1-9(2,3)14(12)11-5-8-4-7(10)6-13-8/h4,6,11H,5H2,1-3H3/t14-/m0/s1.
What are the key properties of (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 296.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).