4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide

C9H13N3OS — CID 103062224

IUPAC4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NC2CCSC2)c1
InChIInChI=1S/C9H13N3OS/c10-6-3-8(11-4-6)9(13)12-7-1-2-14-5-7/h3-4,7,11H,1-2,5,10H2,(H,12,13)
InChIKeyQZXODLRHWOLASV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.83
Rot. Bonds2

About 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 103062224) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID103062224
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NC2CCSC2)c1
InChIInChI=1S/C9H13N3OS/c10-6-3-8(11-4-6)9(13)12-7-1-2-14-5-7/h3-4,7,11H,1-2,5,10H2,(H,12,13)
InChIKeyQZXODLRHWOLASV-UHFFFAOYSA-N
XLogP0.83
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
4-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 61102372
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
3-amino-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
CID 62840417
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-1H-pyrrole-2-carboxamide
CID 114118438
2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
CID 103708614
2-amino-6-chloro-N-(thiolan-3-yl)benzamide
CID 103062170
4-amino-N-(thiolan-3-yl)cyclopentene-1-carboxamide
CID 164650312

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide (CID 103062224) is 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NC2CCSC2)c1.
What is the InChIKey of 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is QZXODLRHWOLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-6-3-8(11-4-6)9(13)12-7-1-2-14-5-7/h3-4,7,11H,1-2,5,10H2,(H,12,13).
What are the key properties of 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103062224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).