(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide

C12H25NOS — CID 163714917

IUPAC(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide
SMILESCC(C)=CCCC(C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8,11,13H,7,9H2,1-6H3/t11?,15-/m0/s1
InChIKeyKMMPDUACLOLOSN-MHTVFEQDSA-N
MW231.40 g/mol
LogP3.17
Rot. Bonds5

About (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide

(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide (PubChem CID 163714917) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide
PubChem CID163714917
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide
SMILESCC(C)=CCCC(C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8,11,13H,7,9H2,1-6H3/t11?,15-/m0/s1
InChIKeyKMMPDUACLOLOSN-MHTVFEQDSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (S)-2-methyl-N-(6-methylhept-5-en-2-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
(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
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878
(R)-N-[(3R)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135019730
(R)-N-[(4R)-hept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135056974
N-[(1R)-1-(cyclohexen-1-yl)propyl]-2-methylpropane-2-sulfinamide
CID 138970584
(R)-N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
CID 56641842
N-[(1S,6R)-6-fluorocyclohex-3-en-1-yl]-2-methylpropane-2-sulfinamide
CID 101965865

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide (CID 163714917) is (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide is CC(C)=CCCC(C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide?
The InChIKey is KMMPDUACLOLOSN-MHTVFEQDSA-N. The full InChI is InChI=1S/C12H25NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8,11,13H,7,9H2,1-6H3/t11?,15-/m0/s1.
What are the key properties of (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide?
(S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-(6-methylhept-5-en-2-yl)propane-2-sulfinamide is sourced from PubChem (CID 163714917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).