2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine

C14H21NS2 — CID 113243458

IUPAC2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
SMILESCSc1ccc(CNC2CCCC2SC)cc1
InChIInChI=1S/C14H21NS2/c1-16-12-8-6-11(7-9-12)10-15-13-4-3-5-14(13)17-2/h6-9,13-15H,3-5,10H2,1-2H3
InChIKeyNNFCVYZKJPORLR-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.78
Rot. Bonds5

About 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine

2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine (PubChem CID 113243458) has the molecular formula C14H21NS2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
PubChem CID113243458
Molecular FormulaC14H21NS2
Molecular Weight267.46 g/mol
Exact Mass267.11
IUPAC Name2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine
SMILESCSc1ccc(CNC2CCCC2SC)cc1
InChIInChI=1S/C14H21NS2/c1-16-12-8-6-11(7-9-12)10-15-13-4-3-5-14(13)17-2/h6-9,13-15H,3-5,10H2,1-2H3
InChIKeyNNFCVYZKJPORLR-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-Ethylamino-1-(4-methylthiophenyl)propane
CID 21978439
N-methyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882957
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
2-N-Allylamino-1-(4-methylthiophenyl)propan
CID 44613067
2-N-Propargylamino-1-(4-methylthiophenyl)propane
CID 44613068
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
2-N-Ethylamino-1-(4-ethylthiophenyl)propane
CID 44613452
2-N-Methylamino-1-(4-methylthiophenyl)butane
CID 44613575
2-N-Ethylamino-1-(4-methylthiophenyl)butane
CID 44613576
2-N-(n-Propyl)amino-1-(4-methylthiophenyl)butane
CID 44613577
2-N-Cyclopropylamino-1-(4-methylthiophenyl)butane
CID 44613579
2-N-Propargylamino-1-(4-methylthiophenyl)butane
CID 44613580

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine (CID 113243458) is 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine is CSc1ccc(CNC2CCCC2SC)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NNFCVYZKJPORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS2/c1-16-12-8-6-11(7-9-12)10-15-13-4-3-5-14(13)17-2/h6-9,13-15H,3-5,10H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine?
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 113243458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).