(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide

C12H25NOS — CID 164848979

IUPAC(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@@H](CC(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-7-8-11(9-10(2)3)13-15(14)12(4,5)6/h7,10-11,13H,1,8-9H2,2-6H3/t11-,15+/m0/s1
InChIKeyBEBXMXFVSRWVGW-XHDPSFHLSA-N
MW231.40 g/mol
LogP3.03
Rot. Bonds6

About (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide (PubChem CID 164848979) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
PubChem CID164848979
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@@H](CC(C)C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-7-8-11(9-10(2)3)13-15(14)12(4,5)6/h7,10-11,13H,1,8-9H2,2-6H3/t11-,15+/m0/s1
InChIKeyBEBXMXFVSRWVGW-XHDPSFHLSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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'}

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Related Compounds

(R)-N-[(3S)-2,5-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 125475719
(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
N-[1-(2,2-difluorocyclopropyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 163279099
Tert-butyl-oxido-[(1,5,7-trifluoro-3-methylhept-1-en-4-yl)amino]sulfanium
CID 175485396
Tert-butyl-oxido-(1,3,7-trifluorohept-1-en-4-ylamino)sulfanium
CID 175485465
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-N-[(3R)-hexa-1,5-dien-3-yl]-2-methylpropane-2-sulfinamide
CID 46946712
(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

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide (CID 164848979) is (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide is C=CC[C@@H](CC(C)C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is BEBXMXFVSRWVGW-XHDPSFHLSA-N. The full InChI is InChI=1S/C12H25NOS/c1-7-8-11(9-10(2)3)13-15(14)12(4,5)6/h7,10-11,13H,1,8-9H2,2-6H3/t11-,15+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 164848979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).