N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

C15H29NOS — CID 132574207

IUPACN-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@H](NS(=O)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C15H29NOS/c1-12(2)11-14(13-9-7-6-8-10-13)16-18(17)15(3,4)5/h9,12,14,16H,6-8,10-11H2,1-5H3/t14-,18?/m0/s1
InChIKeySKKJWYWOMHXKBH-PIVQAISJSA-N
MW271.47 g/mol
LogP3.95
Rot. Bonds5

About N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (PubChem CID 132574207) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
PubChem CID132574207
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)C[C@H](NS(=O)C(C)(C)C)C1=CCCCC1
InChIInChI=1S/C15H29NOS/c1-12(2)11-14(13-9-7-6-8-10-13)16-18(17)15(3,4)5/h9,12,14,16H,6-8,10-11H2,1-5H3/t14-,18?/m0/s1
InChIKeySKKJWYWOMHXKBH-PIVQAISJSA-N
XLogP3.95
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 ≤ 53.95
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

[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
[1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106650578
[1-(cyclohexen-1-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 106648982
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
[1-(cycloocten-1-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 106650162
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide (CID 132574207) is N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is CC(C)C[C@H](NS(=O)C(C)(C)C)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SKKJWYWOMHXKBH-PIVQAISJSA-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/h9,12,14,16H,6-8,10-11H2,1-5H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 271.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 132574207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).