3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine

C10H15ClN2O2S2 — CID 62694441

IUPAC3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
SMILESCN(Cc1ccc(Cl)s1)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H15ClN2O2S2/c1-13(4-7-2-3-10(11)16-7)9-6-17(14,15)5-8(9)12/h2-3,8-9H,4-6,12H2,1H3
InChIKeyNTVPSKSMIHXFEH-UHFFFAOYSA-N
MW294.83 g/mol
LogP0.96
Rot. Bonds3

About 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine

3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine (PubChem CID 62694441) has the molecular formula C10H15ClN2O2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
PubChem CID62694441
Molecular FormulaC10H15ClN2O2S2
Molecular Weight294.83 g/mol
Exact Mass294.03
IUPAC Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine
SMILESCN(Cc1ccc(Cl)s1)C1CS(=O)(=O)CC1N
InChIInChI=1S/C10H15ClN2O2S2/c1-13(4-7-2-3-10(11)16-7)9-6-17(14,15)5-8(9)12/h2-3,8-9H,4-6,12H2,1H3
InChIKeyNTVPSKSMIHXFEH-UHFFFAOYSA-N
XLogP0.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentan-1-amine
CID 61438774
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 61438820
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
3-N-methyl-3-N-(2-methylpropyl)-1,1-dioxothiolane-3,4-diamine
CID 62692734
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-amine
CID 62611523
1-[(5-chlorothiophen-2-yl)methyl]-2-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 119132909
2-(3-amino-4-methylpyrrolidin-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 103577273
3-N-methyl-1,1-dioxo-3-N-(2-pyridin-4-ylethyl)thiolane-3,4-diamine
CID 62694024

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine (CID 62694441) is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine is CN(Cc1ccc(Cl)s1)C1CS(=O)(=O)CC1N.
What is the InChIKey of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine?
The InChIKey is NTVPSKSMIHXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S2/c1-13(4-7-2-3-10(11)16-7)9-6-17(14,15)5-8(9)12/h2-3,8-9H,4-6,12H2,1H3.
What are the key properties of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine?
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine has a molecular weight of 294.83 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 62694441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).