N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine

C13H21NS — CID 64626488

IUPACN-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
SMILESCCNC(CC)CSc1cccc(C)c1
InChIInChI=1S/C13H21NS/c1-4-12(14-5-2)10-15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyWROIATJQSDEYAB-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine (PubChem CID 64626488) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
PubChem CID64626488
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
SMILESCCNC(CC)CSc1cccc(C)c1
InChIInChI=1S/C13H21NS/c1-4-12(14-5-2)10-15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyWROIATJQSDEYAB-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
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
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-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
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)sulfanylbutan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine (CID 64626488) is N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine is CCNC(CC)CSc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine?
The InChIKey is WROIATJQSDEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-12(14-5-2)10-15-13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine has a molecular weight of 223.39 g/mol, XLogP of 3.48, 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)sulfanylbutan-2-amine is sourced from PubChem (CID 64626488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).