(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide

C14H22ClNOS — CID 140628565

IUPAC(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide
SMILESCC(C)[C@H](CC(C)(C)S(N)=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-10(2)12(9-14(3,4)18(16)17)11-7-5-6-8-13(11)15/h5-8,10,12H,9,16H2,1-4H3/t12-,18?/m0/s1
InChIKeyHVAGSZNYTZSMIX-RSXQAXDFSA-N
MW287.86 g/mol
LogP3.87
Rot. Bonds5

About (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide

(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide (PubChem CID 140628565) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide
PubChem CID140628565
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide
SMILESCC(C)[C@H](CC(C)(C)S(N)=O)c1ccccc1Cl
InChIInChI=1S/C14H22ClNOS/c1-10(2)12(9-14(3,4)18(16)17)11-7-5-6-8-13(11)15/h5-8,10,12H,9,16H2,1-4H3/t12-,18?/m0/s1
InChIKeyHVAGSZNYTZSMIX-RSXQAXDFSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258
3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 82080937
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
2-amino-5-(2-chlorophenyl)-2,4-dimethylhexanoic acid
CID 150363705
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
N-tert-butyl-2-(2-chlorophenyl)-3-methylpentan-1-amine
CID 79446177
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
1-chloro-2-(1-nitroethyl)benzene
CID 21252639
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
[(3S)-3-(2-chlorophenyl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 174774353
(1R,3S)-3-amino-1-(2-chlorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171236839
N-[2-amino-2-(2-chlorophenyl)ethyl]methanesulfinamide
CID 130349763

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide?
The IUPAC name of (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide (CID 140628565) is (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide.
What is the SMILES notation for (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide?
The canonical SMILES for (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide is CC(C)[C@H](CC(C)(C)S(N)=O)c1ccccc1Cl.
What is the InChIKey of (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide?
The InChIKey is HVAGSZNYTZSMIX-RSXQAXDFSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-10(2)12(9-14(3,4)18(16)17)11-7-5-6-8-13(11)15/h5-8,10,12H,9,16H2,1-4H3/t12-,18?/m0/s1.
What are the key properties of (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide?
(4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide has a molecular weight of 287.86 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chlorophenyl)-2,5-dimethylhexane-2-sulfinamide is sourced from PubChem (CID 140628565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).