(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide

C13H22N2OS — CID 67521466

IUPAC(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
SMILESCC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C)nc1
InChIInChI=1S/C13H22N2OS/c1-6-12(15-17(16)13(3,4)5)11-8-7-10(2)14-9-11/h7-9,12,15H,6H2,1-5H3/t12-,17+/m1/s1
InChIKeyHAVDKHCPQCDJQW-PXAZEXFGSA-N
MW254.40 g/mol
LogP2.89
Rot. Bonds4

About (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide

(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide (PubChem CID 67521466) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
PubChem CID67521466
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
SMILESCC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C)nc1
InChIInChI=1S/C13H22N2OS/c1-6-12(15-17(16)13(3,4)5)11-8-7-10(2)14-9-11/h7-9,12,15H,6H2,1-5H3/t12-,17+/m1/s1
InChIKeyHAVDKHCPQCDJQW-PXAZEXFGSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
N-[(1S)-1-(4-cyclopropylphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 118693312
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
4-[(1S)-1-(tert-butylsulfinylamino)propyl]pyridine-2-carboxamide
CID 59278114
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
(R)-N-[(1R)-1-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]pent-4-enyl]-2-methylpropane-2-sulfinamide
CID 118204341
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78034981
methyl 3-(tert-butylsulfinylamino)-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropanoate
CID 134500574
(R)-N-[(1S)-1-(furan-2-yl)propyl]-2-methylpropane-2-sulfinamide
CID 135000754

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide (CID 67521466) is (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide is CC[C@@H](N[S@@](=O)C(C)(C)C)c1ccc(C)nc1.
What is the InChIKey of (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide?
The InChIKey is HAVDKHCPQCDJQW-PXAZEXFGSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-6-12(15-17(16)13(3,4)5)11-8-7-10(2)14-9-11/h7-9,12,15H,6H2,1-5H3/t12-,17+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide?
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide has a molecular weight of 254.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 67521466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).