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

C11H14ClNO3S2 — CID 47118827

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO3S2/c1-13(6-9-2-3-10(12)17-9)11(14)8-4-5-18(15,16)7-8/h2-3,8H,4-7H2,1H3
InChIKeyJSVDQPYRZSMRTQ-UHFFFAOYSA-N
MW307.82 g/mol
LogP1.79
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 47118827) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID47118827
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO3S2/c1-13(6-9-2-3-10(12)17-9)11(14)8-4-5-18(15,16)7-8/h2-3,8H,4-7H2,1H3
InChIKeyJSVDQPYRZSMRTQ-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 47118827) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is CN(Cc1ccc(Cl)s1)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is JSVDQPYRZSMRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-13(6-9-2-3-10(12)17-9)11(14)8-4-5-18(15,16)7-8/h2-3,8H,4-7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 47118827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).