1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine

C11H17ClN2S — CID 79426966

IUPAC1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1cc(Cl)cs1
InChIInChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)10(6-13)14-9-3-1-2-4-9/h5,7,9-10,14H,1-4,6,13H2
InChIKeyXNMBSRJMPRTSDI-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine (PubChem CID 79426966) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
PubChem CID79426966
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
SMILESNCC(NC1CCCC1)c1cc(Cl)cs1
InChIInChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)10(6-13)14-9-3-1-2-4-9/h5,7,9-10,14H,1-4,6,13H2
InChIKeyXNMBSRJMPRTSDI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine (CID 79426966) is 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine is NCC(NC1CCCC1)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine?
The InChIKey is XNMBSRJMPRTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)10(6-13)14-9-3-1-2-4-9/h5,7,9-10,14H,1-4,6,13H2.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine has a molecular weight of 244.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 79426966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).