1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine

C16H25NS — CID 66087783

IUPAC1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(C)c1)CC1CCC1
InChIInChI=1S/C16H25NS/c1-3-17-15(11-14-7-5-8-14)12-18-16-9-4-6-13(2)10-16/h4,6,9-10,14-15,17H,3,5,7-8,11-12H2,1-2H3
InChIKeyFIVCDOGLUSQORJ-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.26
Rot. Bonds7

About 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine

1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine (PubChem CID 66087783) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
PubChem CID66087783
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
SMILESCCNC(CSc1cccc(C)c1)CC1CCC1
InChIInChI=1S/C16H25NS/c1-3-17-15(11-14-7-5-8-14)12-18-16-9-4-6-13(2)10-16/h4,6,9-10,14-15,17H,3,5,7-8,11-12H2,1-2H3
InChIKeyFIVCDOGLUSQORJ-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
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
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine (CID 66087783) is 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine is CCNC(CSc1cccc(C)c1)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is FIVCDOGLUSQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-17-15(11-14-7-5-8-14)12-18-16-9-4-6-13(2)10-16/h4,6,9-10,14-15,17H,3,5,7-8,11-12H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine?
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 263.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).