N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C11H17ClN2S — CID 116651270

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1cc(Cl)cs1)C(CN)C1CC1
InChIInChI=1S/C11H17ClN2S/c1-14(11(5-13)8-2-3-8)6-10-4-9(12)7-15-10/h4,7-8,11H,2-3,5-6,13H2,1H3
InChIKeyTUSZWUFLSJISMG-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651270) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651270
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1cc(Cl)cs1)C(CN)C1CC1
InChIInChI=1S/C11H17ClN2S/c1-14(11(5-13)8-2-3-8)6-10-4-9(12)7-15-10/h4,7-8,11H,2-3,5-6,13H2,1H3
InChIKeyTUSZWUFLSJISMG-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 120840356
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 102841973
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835107
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651521
N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79427187

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651270) is N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(Cc1cc(Cl)cs1)C(CN)C1CC1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is TUSZWUFLSJISMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-14(11(5-13)8-2-3-8)6-10-4-9(12)7-15-10/h4,7-8,11H,2-3,5-6,13H2,1H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 244.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).