2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide

C19H35NOS — CID 101366426

IUPAC2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide
SMILESCC(C)=CCC[C@](C)(NS(=O)C(C)(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C19H35NOS/c1-15(2)9-8-14-19(7,20-22(21)18(4,5)6)17-12-10-16(3)11-13-17/h9-10,17,20H,8,11-14H2,1-7H3/t17-,19-,22?/m0/s1
InChIKeyZFCGZIOOIDEDIV-UYJNAUHUSA-N
MW325.56 g/mol
LogP5.29
Rot. Bonds6

About 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide

2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide (PubChem CID 101366426) has the molecular formula C19H35NOS and a molecular weight of 325.56 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide
PubChem CID101366426
Molecular FormulaC19H35NOS
Molecular Weight325.56 g/mol
Exact Mass325.24
IUPAC Name2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide
SMILESCC(C)=CCC[C@](C)(NS(=O)C(C)(C)C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C19H35NOS/c1-15(2)9-8-14-19(7,20-22(21)18(4,5)6)17-12-10-16(3)11-13-17/h9-10,17,20H,8,11-14H2,1-7H3/t17-,19-,22?/m0/s1
InChIKeyZFCGZIOOIDEDIV-UYJNAUHUSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide (CID 101366426) is 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide is CC(C)=CCC[C@](C)(NS(=O)C(C)(C)C)[C@H]1CC=C(C)CC1.
What is the InChIKey of 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide?
The InChIKey is ZFCGZIOOIDEDIV-UYJNAUHUSA-N. The full InChI is InChI=1S/C19H35NOS/c1-15(2)9-8-14-19(7,20-22(21)18(4,5)6)17-12-10-16(3)11-13-17/h9-10,17,20H,8,11-14H2,1-7H3/t17-,19-,22?/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide?
2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide has a molecular weight of 325.56 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 101366426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).