3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide

C10H13ClN2OS — CID 115161400

IUPAC3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-13(9-3-2-8(11)15-9)10(14)6-4-7(12)5-6/h2-3,6-7H,4-5,12H2,1H3
InChIKeyIDKCOBYKUWBHPJ-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.10
Rot. Bonds2

About 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide

3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115161400) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide
PubChem CID115161400
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1CC(N)C1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-13(9-3-2-8(11)15-9)10(14)6-4-7(12)5-6/h2-3,6-7H,4-5,12H2,1H3
InChIKeyIDKCOBYKUWBHPJ-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide (CID 115161400) is 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1CC(N)C1)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is IDKCOBYKUWBHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-13(9-3-2-8(11)15-9)10(14)6-4-7(12)5-6/h2-3,6-7H,4-5,12H2,1H3.
What are the key properties of 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide?
3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chlorothiophen-2-yl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115161400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).