1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine

C18H29NS — CID 66096136

IUPAC1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)CC1CCCC1
InChIInChI=1S/C18H29NS/c1-3-12-19-17(13-16-9-5-6-10-16)14-20-18-11-7-4-8-15(18)2/h4,7-8,11,16-17,19H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyMTPYHSFYCHTWGI-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.04
Rot. Bonds8

About 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine

1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine (PubChem CID 66096136) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
PubChem CID66096136
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1C)CC1CCCC1
InChIInChI=1S/C18H29NS/c1-3-12-19-17(13-16-9-5-6-10-16)14-20-18-11-7-4-8-15(18)2/h4,7-8,11,16-17,19H,3,5-6,9-10,12-14H2,1-2H3
InChIKeyMTPYHSFYCHTWGI-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
1-cyclohexyl-4-phenoxy-N-propylbutan-2-amine
CID 63414368

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine (CID 66096136) is 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine is CCCNC(CSc1ccccc1C)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is MTPYHSFYCHTWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-12-19-17(13-16-9-5-6-10-16)14-20-18-11-7-4-8-15(18)2/h4,7-8,11,16-17,19H,3,5-6,9-10,12-14H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine?
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 291.50 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 66096136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).