(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide

C12H20N2OS — CID 90931178

IUPAC(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide
SMILESCc1ccc([C@H](C)CC(C)(C)S(N)=O)cn1
InChIInChI=1S/C12H20N2OS/c1-9(7-12(3,4)16(13)15)11-6-5-10(2)14-8-11/h5-6,8-9H,7,13H2,1-4H3/t9-,16?/m1/s1
InChIKeyQKDRWMVKBVOLOO-MGFKIWBESA-N
MW240.37 g/mol
LogP2.28
Rot. Bonds4

About (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide

(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide (PubChem CID 90931178) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide
PubChem CID90931178
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide
SMILESCc1ccc([C@H](C)CC(C)(C)S(N)=O)cn1
InChIInChI=1S/C12H20N2OS/c1-9(7-12(3,4)16(13)15)11-6-5-10(2)14-8-11/h5-6,8-9H,7,13H2,1-4H3/t9-,16?/m1/s1
InChIKeyQKDRWMVKBVOLOO-MGFKIWBESA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
(4S)-4-[4-(4-fluoropyrazol-1-yl)phenyl]-2-methylpentane-2-sulfinamide
CID 168756647
5-(3,3-dimethylbutan-2-yl)-2-methylpyridine
CID 59623693
4-(6-methyl-3-pyridinyl)pentanenitrile
CID 15032258
(4S)-4-[5-(difluoromethyl)-2-fluorophenyl]-2-methylpentane-2-sulfinamide
CID 140876931
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
2-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79197654
3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 103027120
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
methyl 3-methyl-2-(6-methyl-3-pyridinyl)butanoate
CID 63158206
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide?
The IUPAC name of (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide (CID 90931178) is (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide.
What is the SMILES notation for (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide?
The canonical SMILES for (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide is Cc1ccc([C@H](C)CC(C)(C)S(N)=O)cn1.
What is the InChIKey of (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide?
The InChIKey is QKDRWMVKBVOLOO-MGFKIWBESA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(7-12(3,4)16(13)15)11-6-5-10(2)14-8-11/h5-6,8-9H,7,13H2,1-4H3/t9-,16?/m1/s1.
What are the key properties of (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide?
(4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide has a molecular weight of 240.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-(6-methyl-3-pyridinyl)pentane-2-sulfinamide is sourced from PubChem (CID 90931178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).