(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide

C10H23NOS — CID 11564699

IUPAC(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)C[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13+/m1/s1
InChIKeySQNVCPUAUAYWRT-RNCFNFMXSA-N
MW205.37 g/mol
LogP2.47
Rot. Bonds4

About (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide (PubChem CID 11564699) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide
PubChem CID11564699
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide
SMILESCC(C)C[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13+/m1/s1
InChIKeySQNVCPUAUAYWRT-RNCFNFMXSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-2-methyl-N-[(2S)-3-methylbutan-2-yl]propane-2-sulfinamide
CID 10976321
(R)-2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfinamide
CID 15416326
(R)-N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 10976623
(R)-N-[(2S)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 15416324
(R)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide
CID 15416325
(R)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide
CID 15416329
(R)-N-[(2S)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 15455975
(R)-2-methyl-N-[(3R)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 15455977
(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide
CID 134955164
(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide
CID 135005350
(S)-2-methyl-N-[(2S)-3-methylbutan-2-yl]propane-2-sulfinamide
CID 135005486
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide (CID 11564699) is (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide is CC(C)C[C@@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide?
The InChIKey is SQNVCPUAUAYWRT-RNCFNFMXSA-N. The full InChI is InChI=1S/C10H23NOS/c1-8(2)7-9(3)11-13(12)10(4,5)6/h8-9,11H,7H2,1-6H3/t9-,13+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide has a molecular weight of 205.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 11564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).