N-(thiophen-3-ylmethyl)azetidine-1-carboxamide

C9H12N2OS — CID 130650634

IUPACN-(thiophen-3-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-3-1-4-11)10-6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyPVPVEJDVLQPFKO-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.66
Rot. Bonds2

About N-(thiophen-3-ylmethyl)azetidine-1-carboxamide

N-(thiophen-3-ylmethyl)azetidine-1-carboxamide (PubChem CID 130650634) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)azetidine-1-carboxamide
PubChem CID130650634
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-(thiophen-3-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-3-1-4-11)10-6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12)
InChIKeyPVPVEJDVLQPFKO-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpiperidin-1-yl)-N-(thiophen-3-ylmethyl)azetidine-1-carboxamide
CID 119074455
1-(azepan-1-yl)-2-(thiophen-3-ylmethylamino)ethanone
CID 60975399
N'-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110933988
4-(1,3-benzodioxol-5-ylmethyl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 119065330
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 75379878
N-benzylazonane-1-carboxamide
CID 130689649
1-(2-piperidin-1-ylethyl)-3-(thiophen-3-ylmethyl)urea
CID 47247061
N-(pyridin-2-ylmethyl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 53499414
N-[(4-aminophenyl)methyl]pyrrolidine-1-carboxamide
CID 79161211
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
4-methyl-3-(1-methylimidazol-2-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 128997791

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-(thiophen-3-ylmethyl)azetidine-1-carboxamide (CID 130650634) is N-(thiophen-3-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(thiophen-3-ylmethyl)azetidine-1-carboxamide is O=C(NCc1ccsc1)N1CCC1.
What is the InChIKey of N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
The InChIKey is PVPVEJDVLQPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(11-3-1-4-11)10-6-8-2-5-13-7-8/h2,5,7H,1,3-4,6H2,(H,10,12).
What are the key properties of N-(thiophen-3-ylmethyl)azetidine-1-carboxamide?
N-(thiophen-3-ylmethyl)azetidine-1-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 130650634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).