3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide

C15H23N3O2S — CID 100666900

IUPAC3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)N[C@H](CC(C)C)c2cccs2)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)7-13(14-5-4-6-21-14)17-15(20)18-8-12(9-18)16-11(3)19/h4-6,10,12-13H,7-9H2,1-3H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyKQTSCDLJIIYXTK-CYBMUJFWSA-N
MW309.44 g/mol
LogP2.37
Rot. Bonds5

About 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide

3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide (PubChem CID 100666900) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
PubChem CID100666900
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)N[C@H](CC(C)C)c2cccs2)C1
InChIInChI=1S/C15H23N3O2S/c1-10(2)7-13(14-5-4-6-21-14)17-15(20)18-8-12(9-18)16-11(3)19/h4-6,10,12-13H,7-9H2,1-3H3,(H,16,19)(H,17,20)/t13-/m1/s1
InChIKeyKQTSCDLJIIYXTK-CYBMUJFWSA-N
XLogP2.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]pyrrolidine-1-carboxamide
CID 98203059
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 86820342
(3R)-3-acetamido-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1-carboxamide
CID 97098464
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285633
(3S)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51966873
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide (CID 100666900) is 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)N[C@H](CC(C)C)c2cccs2)C1.
What is the InChIKey of 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide?
The InChIKey is KQTSCDLJIIYXTK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(2)7-13(14-5-4-6-21-14)17-15(20)18-8-12(9-18)16-11(3)19/h4-6,10,12-13H,7-9H2,1-3H3,(H,16,19)(H,17,20)/t13-/m1/s1.
What are the key properties of 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide?
3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide is sourced from PubChem (CID 100666900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).