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

C9H21NOS — CID 135005350

IUPAC(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide
SMILESCCC[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12+/m1/s1
InChIKeyWRVFUXQGIDMWEC-PELKAZGASA-N
MW191.34 g/mol
LogP2.23
Rot. Bonds4

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

(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide (PubChem CID 135005350) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide
PubChem CID135005350
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide
SMILESCCC[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12+/m1/s1
InChIKeyWRVFUXQGIDMWEC-PELKAZGASA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 52.23
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
N-cyclohexyl-2-methylpropane-2-sulfinamide
CID 70790448
(S)-N-[(3R)-6,6-difluorohexan-3-yl]-2-methylpropane-2-sulfinamide
CID 164536336
2-methyl-N-[(2S)-1,1,5,5,5-pentafluoropentan-2-yl]propane-2-sulfinamide
CID 164536410
(S)-2-methyl-N-[(3R)-6,6,6-trifluorohexan-3-yl]propane-2-sulfinamide
CID 164536658
2-methyl-N-(6,6,6-trifluorohexan-3-yl)propane-2-sulfinamide
CID 167117082
2-methyl-N-(2-methylpropyl)propane-2-sulfinamide
CID 149151884
(R)-N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 10976623
(S)-2-methyl-N-[(2R)-4-methylpentan-2-yl]propane-2-sulfinamide
CID 11564699
(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

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide (CID 135005350) is (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide is CCC[C@@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide?
The InChIKey is WRVFUXQGIDMWEC-PELKAZGASA-N. The full InChI is InChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R)-pentan-2-yl]propane-2-sulfinamide has a molecular weight of 191.34 g/mol, XLogP of 2.23, 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)-pentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 135005350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).