1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine

C15H22ClNS — CID 66147897

IUPAC1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CSc1cccc(Cl)c1)NCC
InChIInChI=1S/C15H22ClNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3
InChIKeyJOCCJEBOXKZBTR-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.77
Rot. Bonds8

About 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine

1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine (PubChem CID 66147897) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
PubChem CID66147897
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
SMILESC=C(CC)CC(CSc1cccc(Cl)c1)NCC
InChIInChI=1S/C15H22ClNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3
InChIKeyJOCCJEBOXKZBTR-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-amine
CID 66073336
N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066398
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
1-(3-chlorophenyl)sulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79180280
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)ethanamine
CID 64633518
ethyl 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanoate
CID 55101614
1-(3-chlorophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66046965
1-(3,5-dichlorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 105006003
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine (CID 66147897) is 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine is C=C(CC)CC(CSc1cccc(Cl)c1)NCC.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine?
The InChIKey is JOCCJEBOXKZBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-4-12(3)9-14(17-5-2)11-18-15-8-6-7-13(16)10-15/h6-8,10,14,17H,3-5,9,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine?
1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine has a molecular weight of 283.87 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine is sourced from PubChem (CID 66147897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).