(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

C12H25NOS — CID 125475719

IUPAC(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=C(C)C[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-9(2)8-11(10(3)4)13-15(14)12(5,6)7/h10-11,13H,1,8H2,2-7H3/t11-,15+/m0/s1
InChIKeyDFHIFOPYOMFRLZ-XHDPSFHLSA-N
MW231.40 g/mol
LogP3.03
Rot. Bonds5

About (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 125475719) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID125475719
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=C(C)C[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-9(2)8-11(10(3)4)13-15(14)12(5,6)7/h10-11,13H,1,8H2,2-7H3/t11-,15+/m0/s1
InChIKeyDFHIFOPYOMFRLZ-XHDPSFHLSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
Tert-butyl-oxido-[(1,5,7-trifluoro-3-methylhept-1-en-4-yl)amino]sulfanium
CID 175485396
(S)-2-methyl-N-[(3R)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 71573514
(R)-N-[(1S)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939663
(R)-N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939670
(R)-2-methyl-N-[(3S)-2-methylhex-5-en-3-yl]propane-2-sulfinamide
CID 134963746
(R)-N-[(4R)-hept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135056974
(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 125475737
2-methyl-N-(1-(3-methylenecyclobutyl)ethyl)propane-2-sulfinamide
CID 90318598
2-methyl-N-[2-(3-methylidenecyclobutyl)ethyl]propane-2-sulfinamide
CID 90318599
2-methyl-N-[(2S)-4-methylpent-4-en-2-yl]propane-2-sulfinamide
CID 144371387

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (CID 125475719) is (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is C=C(C)C[C@H](N[S@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DFHIFOPYOMFRLZ-XHDPSFHLSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)8-11(10(3)4)13-15(14)12(5,6)7/h10-11,13H,1,8H2,2-7H3/t11-,15+/m0/s1.
What are the key properties of (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 125475719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).