(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

C13H22BrNOS2 — CID 163225327

IUPAC(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C13H22BrNOS2/c1-9(2)6-11(12-7-10(14)8-17-12)15-18(16)13(3,4)5/h7-9,11,15H,6H2,1-5H3/t11-,18+/m1/s1
InChIKeyVZDNLXUUNATXHT-ZMZPIMSZSA-N
MW352.36 g/mol
LogP4.65
Rot. Bonds5

About (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 163225327) has the molecular formula C13H22BrNOS2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID163225327
Molecular FormulaC13H22BrNOS2
Molecular Weight352.36 g/mol
Exact Mass351.03
IUPAC Name(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(Br)cs1
InChIInChI=1S/C13H22BrNOS2/c1-9(2)6-11(12-7-10(14)8-17-12)15-18(16)13(3,4)5/h7-9,11,15H,6H2,1-5H3/t11-,18+/m1/s1
InChIKeyVZDNLXUUNATXHT-ZMZPIMSZSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 118279654
(S)-N-[(1S)-1-(4-iodophenyl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 124640307
(S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylpropane-2-sulfinamide
CID 163224948
N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 132574207
4-(4-bromothiophen-2-yl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953738
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 163225327) is (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)C[C@@H](N[S@@](=O)C(C)(C)C)c1cc(Br)cs1.
What is the InChIKey of (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VZDNLXUUNATXHT-ZMZPIMSZSA-N. The full InChI is InChI=1S/C13H22BrNOS2/c1-9(2)6-11(12-7-10(14)8-17-12)15-18(16)13(3,4)5/h7-9,11,15H,6H2,1-5H3/t11-,18+/m1/s1.
What are the key properties of (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 352.36 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1R)-1-(4-bromothiophen-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163225327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).