(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide

C14H31NO2S — CID 135061892

IUPAC(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCCCCC[C@H](N[S@](=O)C(C)(C)C)[C@H](O)C(C)C
InChIInChI=1S/C14H31NO2S/c1-7-8-9-10-12(13(16)11(2)3)15-18(17)14(4,5)6/h11-13,15-16H,7-10H2,1-6H3/t12-,13+,18+/m0/s1
InChIKeyRQLOGGNKYCUSKP-VEVIJQCQSA-N
MW277.47 g/mol
LogP3.00
Rot. Bonds8

About (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 135061892) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID135061892
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC Name(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide
SMILESCCCCC[C@H](N[S@](=O)C(C)(C)C)[C@H](O)C(C)C
InChIInChI=1S/C14H31NO2S/c1-7-8-9-10-12(13(16)11(2)3)15-18(17)14(4,5)6/h11-13,15-16H,7-10H2,1-6H3/t12-,13+,18+/m0/s1
InChIKeyRQLOGGNKYCUSKP-VEVIJQCQSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide (CID 135061892) is (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide is CCCCC[C@H](N[S@](=O)C(C)(C)C)[C@H](O)C(C)C.
What is the InChIKey of (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RQLOGGNKYCUSKP-VEVIJQCQSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-7-8-9-10-12(13(16)11(2)3)15-18(17)14(4,5)6/h11-13,15-16H,7-10H2,1-6H3/t12-,13+,18+/m0/s1.
What are the key properties of (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 277.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,4S)-3-hydroxy-2-methylnonan-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 135061892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).