N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

C12H17N3O2S — CID 119553083

IUPACN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1cccs1)C1CCNC1
InChIInChI=1S/C12H17N3O2S/c1-15(9-4-5-13-7-9)11(16)8-14-12(17)10-3-2-6-18-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyXGYRBNJDIWHFBM-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.30
Rot. Bonds4

About N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 119553083) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID119553083
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1cccs1)C1CCNC1
InChIInChI=1S/C12H17N3O2S/c1-15(9-4-5-13-7-9)11(16)8-14-12(17)10-3-2-6-18-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17)
InChIKeyXGYRBNJDIWHFBM-UHFFFAOYSA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 119553083) is N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is CN(C(=O)CNC(=O)c1cccs1)C1CCNC1.
What is the InChIKey of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XGYRBNJDIWHFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15(9-4-5-13-7-9)11(16)8-14-12(17)10-3-2-6-18-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17).
What are the key properties of N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 119553083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).