(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

C12H25NOS — CID 125475737

IUPAC(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-8-10(4)11(9(2)3)13-15(14)12(5,6)7/h8-11,13H,1H2,2-7H3/t10-,11+,15+/m0/s1
InChIKeyKXDCGZHLLFHUTG-FIXISWKDSA-N
MW231.40 g/mol
LogP2.88
Rot. Bonds5

About (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 125475737) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
PubChem CID125475737
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(C)C
InChIInChI=1S/C12H25NOS/c1-8-10(4)11(9(2)3)13-15(14)12(5,6)7/h8-11,13H,1H2,2-7H3/t10-,11+,15+/m0/s1
InChIKeyKXDCGZHLLFHUTG-FIXISWKDSA-N
XLogP2.88
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 ≤ 52.88
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
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730
2-methyl-N-(1,1,1-trifluorohex-5-en-3-yl)propane-2-sulfinamide
CID 167047179
2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 167047187
Tert-butyl-oxido-[(1,5,7-trifluoro-3-methylhept-1-en-4-yl)amino]sulfanium
CID 175485396
(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
(S)-N-[(3S)-2,3-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 134925990
(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

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide (CID 125475737) is (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is C=C[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(C)C.
What is the InChIKey of (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is KXDCGZHLLFHUTG-FIXISWKDSA-N. The full InChI is InChI=1S/C12H25NOS/c1-8-10(4)11(9(2)3)13-15(14)12(5,6)7/h8-11,13H,1H2,2-7H3/t10-,11+,15+/m0/s1.
What are the key properties of (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,4S)-2,4-dimethylhex-5-en-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 125475737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).