N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide

C16H29NOS — CID 102333981

IUPACN-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@H](NS(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19?/m0/s1
InChIKeyKTNTWKOLKFFLJF-FUKCDUGKSA-N
MW283.48 g/mol
LogP3.98
Rot. Bonds6

About N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 102333981) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID102333981
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC NameN-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@H](NS(=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19?/m0/s1
InChIKeyKTNTWKOLKFFLJF-FUKCDUGKSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 102333981) is N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=CC(C=C)[C@H](NS(=O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KTNTWKOLKFFLJF-FUKCDUGKSA-N. The full InChI is InChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19?/m0/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 283.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102333981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).