4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide

C11H17N3OS — CID 80726234

IUPAC4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(CNC(=O)c2cc(N)c[nH]2)CCCS1
InChIInChI=1S/C11H17N3OS/c1-11(3-2-4-16-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7,12H2,1H3,(H,14,15)
InChIKeyGWURIEKKIYPSHT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.61
Rot. Bonds3

About 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 80726234) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID80726234
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1(CNC(=O)c2cc(N)c[nH]2)CCCS1
InChIInChI=1S/C11H17N3OS/c1-11(3-2-4-16-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7,12H2,1H3,(H,14,15)
InChIKeyGWURIEKKIYPSHT-UHFFFAOYSA-N
XLogP1.61
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide 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

6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103757770
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
6-amino-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036016
4-amino-3-bromo-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80737207
4-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245860
2-amino-6-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726810
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 103759085

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide (CID 80726234) is 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide is CC1(CNC(=O)c2cc(N)c[nH]2)CCCS1.
What is the InChIKey of 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GWURIEKKIYPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(3-2-4-16-11)7-14-10(15)9-5-8(12)6-13-9/h5-6,13H,2-4,7,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 80726234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).