N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide

C15H29NOS — CID 132574199

IUPACN-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](NS(=O)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C15H29NOS/c1-12(2)11-14(13-9-7-6-8-10-13)16-18(17)15(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t13-,14-,18?/m1/s1
InChIKeyQNTGGPGZNQAXAS-LPOUJYBBSA-N
MW271.47 g/mol
LogP3.81
Rot. Bonds5

About N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 132574199) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID132574199
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@@H](NS(=O)C(C)(C)C)[C@@H]1C=CCCC1
InChIInChI=1S/C15H29NOS/c1-12(2)11-14(13-9-7-6-8-10-13)16-18(17)15(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t13-,14-,18?/m1/s1
InChIKeyQNTGGPGZNQAXAS-LPOUJYBBSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.81
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-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
(R)-N-[(S)-cyclohexa-2,4-dien-1-yl-(4,4-difluorocyclohexyl)methyl]-2-methylpropane-2-sulfinamide
CID 171777771
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(R)-2-methyl-N-[(E,5S)-2-methyldec-6-en-5-yl]propane-2-sulfinamide
CID 135000629
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
N-[(1R)-1-(cyclohexen-1-yl)propyl]-2-methylpropane-2-sulfinamide
CID 138970584
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
4-(Cyclohex-3-en-1-yl)-3-methylbutan-2-amine
CID 69934775
2-methyl-N-(4-methylcyclohex-2-en-1-yl)propane-2-sulfinamide
CID 70892547
N-((R)-1-cyclobutylbut-3-en-1-yl)-2-methylpropane-2-sulfinamide
CID 118558970

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 132574199) is N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)C[C@@H](NS(=O)C(C)(C)C)[C@@H]1C=CCCC1.
What is the InChIKey of N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is QNTGGPGZNQAXAS-LPOUJYBBSA-N. The full InChI is InChI=1S/C15H29NOS/c1-12(2)11-14(13-9-7-6-8-10-13)16-18(17)15(3,4)5/h7,9,12-14,16H,6,8,10-11H2,1-5H3/t13-,14-,18?/m1/s1.
What are the key properties of N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 271.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 132574199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).