(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide

C14H27NOS — CID 11196188

IUPAC(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](CC1CCCCC1)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H27NOS/c1-5-13(15-17(16)14(2,3)4)11-12-9-7-6-8-10-12/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17+/m1/s1
InChIKeyYQDFOYVAXCZLDA-DYVFJYSZSA-N
MW257.44 g/mol
LogP3.56
Rot. Bonds5

About (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide

(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 11196188) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID11196188
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H](CC1CCCCC1)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C14H27NOS/c1-5-13(15-17(16)14(2,3)4)11-12-9-7-6-8-10-12/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17+/m1/s1
InChIKeyYQDFOYVAXCZLDA-DYVFJYSZSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.56
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
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(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-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
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
(S)-2-methyl-N-[(4S)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 164848967
(R)-2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 164848979

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide (CID 11196188) is (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide is C=C[C@H](CC1CCCCC1)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is YQDFOYVAXCZLDA-DYVFJYSZSA-N. The full InChI is InChI=1S/C14H27NOS/c1-5-13(15-17(16)14(2,3)4)11-12-9-7-6-8-10-12/h5,12-13,15H,1,6-11H2,2-4H3/t13-,17+/m1/s1.
What are the key properties of (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 257.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11196188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).