3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine

C11H17ClN2S — CID 66007810

IUPAC3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
SMILESNC1CCC(CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)7-14-6-8-1-2-9(13)5-8/h3-4,8-9,14H,1-2,5-7,13H2
InChIKeyUMDRSINTPMZJPN-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.62
Rot. Bonds4

About 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine

3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 66007810) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
PubChem CID66007810
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
SMILESNC1CCC(CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)7-14-6-8-1-2-9(13)5-8/h3-4,8-9,14H,1-2,5-7,13H2
InChIKeyUMDRSINTPMZJPN-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 115161504
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
CID 114421555
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60744396
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
4-[(5-chlorothiophen-2-yl)methylamino]butanamide
CID 60863033
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
N-[(5-chlorothiophen-2-yl)methyl]-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 63504010
1-[4-[(5-chlorothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38064329

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine (CID 66007810) is 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine is NC1CCC(CNCc2ccc(Cl)s2)C1.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is UMDRSINTPMZJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-11-4-3-10(15-11)7-14-6-8-1-2-9(13)5-8/h3-4,8-9,14H,1-2,5-7,13H2.
What are the key properties of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine?
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 244.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66007810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).