1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C10H17ClN2O2S2 — CID 79849962

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-13(5-6-17(2,14)15)8(7-12)9-3-4-10(11)16-9/h3-4,8H,5-7,12H2,1-2H3
InChIKeyJCSLXTGKLLHDKL-UHFFFAOYSA-N
MW296.85 g/mol
LogP1.38
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 79849962) has the molecular formula C10H17ClN2O2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID79849962
Molecular FormulaC10H17ClN2O2S2
Molecular Weight296.85 g/mol
Exact Mass296.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2O2S2/c1-13(5-6-17(2,14)15)8(7-12)9-3-4-10(11)16-9/h3-4,8H,5-7,12H2,1-2H3
InChIKeyJCSLXTGKLLHDKL-UHFFFAOYSA-N
XLogP1.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(5-chlorothiophen-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43329248
1-(3-bromothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 115380506
1-(5-chlorothiophen-2-yl)-N-(cyclohexylmethyl)-N-methylethane-1,2-diamine
CID 54983977
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55002445
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842754
1-(2,3-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79841861
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 119582214

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 79849962) is 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CN(CCS(C)(=O)=O)C(CN)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is JCSLXTGKLLHDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S2/c1-13(5-6-17(2,14)15)8(7-12)9-3-4-10(11)16-9/h3-4,8H,5-7,12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 296.85 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79849962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).