N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide

C16H23NOS — CID 156621609

IUPACN-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCCc1cccc(C2CC2)c1
InChIInChI=1S/C16H23NOS/c1-16(2,3)19(18)17-11-5-7-13-6-4-8-15(12-13)14-9-10-14/h4,6,8,11-12,14H,5,7,9-10H2,1-3H3
InChIKeyDQVUEDOPILIFFD-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide

N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide (PubChem CID 156621609) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide
PubChem CID156621609
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCCc1cccc(C2CC2)c1
InChIInChI=1S/C16H23NOS/c1-16(2,3)19(18)17-11-5-7-13-6-4-8-15(12-13)14-9-10-14/h4,6,8,11-12,14H,5,7,9-10H2,1-3H3
InChIKeyDQVUEDOPILIFFD-UHFFFAOYSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-cycloheptylphenyl)propanal
CID 117332990
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374
(NZ,R)-N-(2-benzylsulfanylethylidene)-2-methylpropane-2-sulfinamide
CID 162413640
(3-cyclopropylphenyl)methanethiol
CID 79977406
benzyl (4E)-4-tert-butylsulfinyliminobutanoate
CID 156777650
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
(3-cyclopropylphenyl)methanol;ethane;molecular hydrogen
CID 156722104
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide (CID 156621609) is N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CCCc1cccc(C2CC2)c1.
What is the InChIKey of N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is DQVUEDOPILIFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-16(2,3)19(18)17-11-5-7-13-6-4-8-15(12-13)14-9-10-14/h4,6,8,11-12,14H,5,7,9-10H2,1-3H3.
What are the key properties of N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide?
N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 277.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopropylphenyl)propylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 156621609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).