(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide

C15H24ClFN2OS — CID 130299503

IUPAC(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide
SMILESCN(C)CC[C@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F
InChIInChI=1S/C15H24ClFN2OS/c1-15(2,3)21(20)18-13(9-10-19(4)5)11-7-6-8-12(16)14(11)17/h6-8,13,18H,9-10H2,1-5H3/t13-,21+/m0/s1
InChIKeyPANIMQCVJKRCHP-YEJXKQKISA-N
MW334.89 g/mol
LogP3.52
Rot. Bonds6

About (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 130299503) has the molecular formula C15H24ClFN2OS and a molecular weight of 334.89 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide
PubChem CID130299503
Molecular FormulaC15H24ClFN2OS
Molecular Weight334.89 g/mol
Exact Mass334.13
IUPAC Name(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide
SMILESCN(C)CC[C@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F
InChIInChI=1S/C15H24ClFN2OS/c1-15(2,3)21(20)18-13(9-10-19(4)5)11-7-6-8-12(16)14(11)17/h6-8,13,18H,9-10H2,1-5H3/t13-,21+/m0/s1
InChIKeyPANIMQCVJKRCHP-YEJXKQKISA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide (CID 130299503) is (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide is CN(C)CC[C@H](N[S@](=O)C(C)(C)C)c1cccc(Cl)c1F.
What is the InChIKey of (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is PANIMQCVJKRCHP-YEJXKQKISA-N. The full InChI is InChI=1S/C15H24ClFN2OS/c1-15(2,3)21(20)18-13(9-10-19(4)5)11-7-6-8-12(16)14(11)17/h6-8,13,18H,9-10H2,1-5H3/t13-,21+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 334.89 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(3-chloro-2-fluorophenyl)-3-(dimethylamino)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 130299503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).