(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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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).