2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine

C13H21NS2 — CID 64906327

IUPAC2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cccs2)C1C
InChIInChI=1S/C13H21NS2/c1-3-8-14-11-6-7-12(10(11)2)16-13-5-4-9-15-13/h4-5,9-12,14H,3,6-8H2,1-2H3
InChIKeyDBMJGBCCQJRVAE-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.01
Rot. Bonds5

About 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine

2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine (PubChem CID 64906327) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
PubChem CID64906327
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC Name2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine
SMILESCCCNC1CCC(Sc2cccs2)C1C
InChIInChI=1S/C13H21NS2/c1-3-8-14-11-6-7-12(10(11)2)16-13-5-4-9-15-13/h4-5,9-12,14H,3,6-8H2,1-2H3
InChIKeyDBMJGBCCQJRVAE-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-propyl-3-thiophen-2-ylsulfanyloxan-4-amine
CID 64613802
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906351
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
2-methyl-N-propyl-3-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64907493
3-(3-bromophenyl)sulfanyl-2-methyl-N-propylcyclopentan-1-amine
CID 64906963
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
N-[4-[2-methyl-3-(propylamino)cyclopentyl]sulfanylphenyl]acetamide
CID 64905120
N-methyl-4-(2-methylbutan-2-yl)-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64612754
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
4-methyl-N-(2-thiophen-2-ylsulfanylethyl)cyclohexan-1-amine
CID 62577729
3-(2-bromophenyl)sulfanyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine?
The IUPAC name of 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine (CID 64906327) is 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine is CCCNC1CCC(Sc2cccs2)C1C.
What is the InChIKey of 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine?
The InChIKey is DBMJGBCCQJRVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-3-8-14-11-6-7-12(10(11)2)16-13-5-4-9-15-13/h4-5,9-12,14H,3,6-8H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine?
2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-thiophen-2-ylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 64906327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).