N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine

C15H23NS2 — CID 79942468

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2cccs2)C2CCCC2)CS1
InChIInChI=1S/C15H23NS2/c1-11-9-13(10-18-11)16-15(12-5-2-3-6-12)14-7-4-8-17-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyPYHDFQAUMDIZGR-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.46
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine (PubChem CID 79942468) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
PubChem CID79942468
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
SMILESCC1CC(NC(c2cccs2)C2CCCC2)CS1
InChIInChI=1S/C15H23NS2/c1-11-9-13(10-18-11)16-15(12-5-2-3-6-12)14-7-4-8-17-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3
InChIKeyPYHDFQAUMDIZGR-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115710812
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64502337
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113350069
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-[(1R)-1-cyclohexylethyl]-5-methylthiolan-3-amine
CID 81384917

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine (CID 79942468) is N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine is CC1CC(NC(c2cccs2)C2CCCC2)CS1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine?
The InChIKey is PYHDFQAUMDIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-11-9-13(10-18-11)16-15(12-5-2-3-6-12)14-7-4-8-17-14/h4,7-8,11-13,15-16H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine has a molecular weight of 281.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 79942468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).