2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide

C14H27NOS — CID 86057961

IUPAC2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide
SMILESC=CCC1(CNS(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H27NOS/c1-5-9-14(10-7-6-8-11-14)12-15-17(16)13(2,3)4/h5,15H,1,6-12H2,2-4H3
InChIKeyJNIITXSBLWTJSF-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.56
Rot. Bonds5

About 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide

2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide (PubChem CID 86057961) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide
PubChem CID86057961
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide
SMILESC=CCC1(CNS(=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C14H27NOS/c1-5-9-14(10-7-6-8-11-14)12-15-17(16)13(2,3)4/h5,15H,1,6-12H2,2-4H3
InChIKeyJNIITXSBLWTJSF-UHFFFAOYSA-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
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(R)-N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
CID 135000839
(S)-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 11196188
N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416911
N-[(1R)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416912
N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
CID 101456988
N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 102333981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide (CID 86057961) is 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide is C=CCC1(CNS(=O)C(C)(C)C)CCCCC1.
What is the InChIKey of 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide?
The InChIKey is JNIITXSBLWTJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-5-9-14(10-7-6-8-11-14)12-15-17(16)13(2,3)4/h5,15H,1,6-12H2,2-4H3.
What are the key properties of 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide?
2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-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 2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide is sourced from PubChem (CID 86057961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).