N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine

C14H21NS — CID 66096345

IUPACN-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1ccccc1C)NCC
InChIInChI=1S/C14H21NS/c1-4-8-13(15-5-2)11-16-14-10-7-6-9-12(14)3/h4,6-7,9-10,13,15H,1,5,8,11H2,2-3H3
InChIKeyFHKABYSCXCHDSR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.64
Rot. Bonds7

About N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine

N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine (PubChem CID 66096345) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
PubChem CID66096345
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
SMILESC=CCC(CSc1ccccc1C)NCC
InChIInChI=1S/C14H21NS/c1-4-8-13(15-5-2)11-16-14-10-7-6-9-12(14)3/h4,6-7,9-10,13,15H,1,5,8,11H2,2-3H3
InChIKeyFHKABYSCXCHDSR-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.64
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-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
CID 116660854
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098442
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine?
The IUPAC name of N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine (CID 66096345) is N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine is C=CCC(CSc1ccccc1C)NCC.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine?
The InChIKey is FHKABYSCXCHDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-4-8-13(15-5-2)11-16-14-10-7-6-9-12(14)3/h4,6-7,9-10,13,15H,1,5,8,11H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine?
N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine is sourced from PubChem (CID 66096345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).