1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine

C18H29NS — CID 65138833

IUPAC1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(CSC1CCCC1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NS/c1-14(2)16-10-8-15(9-11-16)12-17(19-3)13-20-18-6-4-5-7-18/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyTYMXRHZPDQFYFF-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.62
Rot. Bonds7

About 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine

1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine (PubChem CID 65138833) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
PubChem CID65138833
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC Name1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
SMILESCNC(CSC1CCCC1)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29NS/c1-14(2)16-10-8-15(9-11-16)12-17(19-3)13-20-18-6-4-5-7-18/h8-11,14,17-19H,4-7,12-13H2,1-3H3
InChIKeyTYMXRHZPDQFYFF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanyl-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 65138877
1-cyclohexylsulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65479375
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
1-(5-chlorothiophen-2-yl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139957
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
1-(4-chloro-2-fluorophenyl)-3-cyclopentylsulfanyl-N-methylpropan-2-amine
CID 114855831
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
N-methyl-1-(2-methylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107188350
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
1-(5-chloro-2-methoxyphenyl)-3-cyclohexylsulfanyl-N-methylpropan-2-amine
CID 65139555

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine (CID 65138833) is 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine is CNC(CSC1CCCC1)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
The InChIKey is TYMXRHZPDQFYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-14(2)16-10-8-15(9-11-16)12-17(19-3)13-20-18-6-4-5-7-18/h8-11,14,17-19H,4-7,12-13H2,1-3H3.
What are the key properties of 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine?
1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine has a molecular weight of 291.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine is sourced from PubChem (CID 65138833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).