(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide

C9H21NOS — CID 134955164

IUPAC(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-7(2)8(3)10-12(11)9(4,5)6/h7-8,10H,1-6H3/t8-,12+/m1/s1
InChIKeyQTCVTRGYUGYRLM-PELKAZGASA-N
MW191.34 g/mol
LogP2.08
Rot. Bonds3

About (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide (PubChem CID 134955164) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide
PubChem CID134955164
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide
SMILESCC(C)[C@@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-7(2)8(3)10-12(11)9(4,5)6/h7-8,10H,1-6H3/t8-,12+/m1/s1
InChIKeyQTCVTRGYUGYRLM-PELKAZGASA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide (CID 134955164) is (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide is CC(C)[C@@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide?
The InChIKey is QTCVTRGYUGYRLM-PELKAZGASA-N. The full InChI is InChI=1S/C9H21NOS/c1-7(2)8(3)10-12(11)9(4,5)6/h7-8,10H,1-6H3/t8-,12+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfinamide has a molecular weight of 191.34 g/mol, XLogP of 2.08, 3 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)-3-methylbutan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 134955164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).