(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

C15H24BrNO2S — CID 91380408

IUPAC(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](O)CC(C)(N[S@](=O)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-11(18)10-15(5,17-20(19)14(2,3)4)12-7-6-8-13(16)9-12/h6-9,11,17-18H,10H2,1-5H3/t11-,15?,20+/m0/s1
InChIKeyOWIDFNOEHFQJCS-KFKBYRTOSA-N
MW362.33 g/mol
LogP3.49
Rot. Bonds5

About (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 91380408) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID91380408
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESC[C@H](O)CC(C)(N[S@](=O)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2S/c1-11(18)10-15(5,17-20(19)14(2,3)4)12-7-6-8-13(16)9-12/h6-9,11,17-18H,10H2,1-5H3/t11-,15?,20+/m0/s1
InChIKeyOWIDFNOEHFQJCS-KFKBYRTOSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

methyl (3S)-3-(3-bromophenyl)-3-(tert-butylsulfinylamino)butanoate
CID 66579814
[2-(3-bromophenyl)-2-(tert-butylsulfinylamino)propyl] formate
CID 129087787
(3S)-3-(3-bromophenyl)-3-[[(R)-tert-butylsulfinyl]amino]-N-methoxy-N-methylbutanamide;ethane
CID 90797903
N-[2-(5-bromo-2-fluorophenyl)-4-fluoro-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 90375303
methyl 3-(tert-butylsulfinylamino)-3-(3-chlorophenyl)butanoate
CID 140758091
(R)-N-[(2S)-2-(3-bromo-4-fluorophenyl)-4-oxopentan-2-yl]-2-methylpropane-2-sulfinamide
CID 118305834
(3R)-3-(tert-butylsulfinylamino)-3-phenylbutanoic acid
CID 59627207
2-(3-bromophenyl)-2-methylpropane-1-sulfonic acid
CID 115053064
2-(3-bromophenyl)-2,3-dimethylbutanoyl chloride
CID 117048084
1-amino-2-(3-bromophenyl)-4-methyl-1-oxopentane-2-sulfinic acid
CID 67025456
2-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180213
N-[(2R)-2-(3-bromophenyl)-1-hydroxypropan-2-yl]-2-chloroacetamide
CID 66931419

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide (CID 91380408) is (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is C[C@H](O)CC(C)(N[S@](=O)C(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is OWIDFNOEHFQJCS-KFKBYRTOSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-11(18)10-15(5,17-20(19)14(2,3)4)12-7-6-8-13(16)9-12/h6-9,11,17-18H,10H2,1-5H3/t11-,15?,20+/m0/s1.
What are the key properties of (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 362.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S)-2-(3-bromophenyl)-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 91380408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).