N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine

C14H19NS — CID 66088364

IUPACN-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
SMILESC#CCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C14H19NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h1,6,8-10,13,15H,5,7,11H2,2-3H3
InChIKeyDTRYDDRAIFLGIC-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.09
Rot. Bonds6

About N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine

N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine (PubChem CID 66088364) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
PubChem CID66088364
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
SMILESC#CCC(CSc1cccc(C)c1)NCC
InChIInChI=1S/C14H19NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h1,6,8-10,13,15H,5,7,11H2,2-3H3
InChIKeyDTRYDDRAIFLGIC-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255
N-ethyl-1-(4-fluorophenyl)sulfanylpent-4-yn-2-amine
CID 66073273
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine (CID 66088364) is N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine is C#CCC(CSc1cccc(C)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine?
The InChIKey is DTRYDDRAIFLGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-4-7-13(15-5-2)11-16-14-9-6-8-12(3)10-14/h1,6,8-10,13,15H,5,7,11H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine has a molecular weight of 233.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine is sourced from PubChem (CID 66088364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).