2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide

C15H29NOS — CID 102321902

IUPAC2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide
SMILESC=C(C)C[C@@H](CC/C=C\CC)NS(=O)C(C)(C)C
InChIInChI=1S/C15H29NOS/c1-7-8-9-10-11-14(12-13(2)3)16-18(17)15(4,5)6/h8-9,14,16H,2,7,10-12H2,1,3-6H3/b9-8-/t14-,18?/m1/s1
InChIKeyCQJMAXCHGVLPKN-FPIFLTACSA-N
MW271.47 g/mol
LogP4.12
Rot. Bonds8

About 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide

2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide (PubChem CID 102321902) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide
PubChem CID102321902
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide
SMILESC=C(C)C[C@@H](CC/C=C\CC)NS(=O)C(C)(C)C
InChIInChI=1S/C15H29NOS/c1-7-8-9-10-11-14(12-13(2)3)16-18(17)15(4,5)6/h8-9,14,16H,2,7,10-12H2,1,3-6H3/b9-8-/t14-,18?/m1/s1
InChIKeyCQJMAXCHGVLPKN-FPIFLTACSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-[(4R,5E)-hepta-1,5-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 46946711
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
(R)-2-methyl-N-[(E,3S)-oct-4-en-3-yl]propane-2-sulfinamide
CID 131866049
(R)-N-[(Z,2R)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945406
(R)-N-[(E,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945442
(R)-N-[(Z,2S)-hept-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134945451
(R)-2-methyl-N-[(E,4S)-non-5-en-4-yl]propane-2-sulfinamide
CID 134964096
(S)-N-[(1S,6S)-6-[[(S)-tert-butylsulfinyl]amino]cyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
CID 134967893
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide (CID 102321902) is 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide is C=C(C)C[C@@H](CC/C=C\CC)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide?
The InChIKey is CQJMAXCHGVLPKN-FPIFLTACSA-N. The full InChI is InChI=1S/C15H29NOS/c1-7-8-9-10-11-14(12-13(2)3)16-18(17)15(4,5)6/h8-9,14,16H,2,7,10-12H2,1,3-6H3/b9-8-/t14-,18?/m1/s1.
What are the key properties of 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide?
2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide has a molecular weight of 271.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4R,7Z)-2-methyldeca-1,7-dien-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 102321902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).