N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H19ClN2S2 — CID 62557593

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESClc1ccc(CNCCN(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C15H19ClN2S2/c16-15-6-5-13(20-15)10-17-7-8-18(12-3-4-12)11-14-2-1-9-19-14/h1-2,5-6,9,12,17H,3-4,7-8,10-11H2
InChIKeyDFUXGQRIEBFFTG-UHFFFAOYSA-N
MW326.92 g/mol
LogP4.22
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62557593) has the molecular formula C15H19ClN2S2 and a molecular weight of 326.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62557593
Molecular FormulaC15H19ClN2S2
Molecular Weight326.92 g/mol
Exact Mass326.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESClc1ccc(CNCCN(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C15H19ClN2S2/c16-15-6-5-13(20-15)10-17-7-8-18(12-3-4-12)11-14-2-1-9-19-14/h1-2,5-6,9,12,17H,3-4,7-8,10-11H2
InChIKeyDFUXGQRIEBFFTG-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62554893
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-[(5-chlorothiophen-2-yl)methyl]-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 63504010
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 64522871
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
2-[(5-chlorothiophen-2-yl)methyl-cyclobutylamino]ethanol
CID 102676588

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62557593) is N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is Clc1ccc(CNCCN(Cc2cccs2)C2CC2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DFUXGQRIEBFFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S2/c16-15-6-5-13(20-15)10-17-7-8-18(12-3-4-12)11-14-2-1-9-19-14/h1-2,5-6,9,12,17H,3-4,7-8,10-11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 326.92 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).