2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide

C10H18N2OS — CID 103063076

IUPAC2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCSC1)C1CNC1
InChIInChI=1S/C10H18N2OS/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyPSWNXBYDCUJQRM-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.46
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide

2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide (PubChem CID 103063076) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
PubChem CID103063076
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide
SMILESCC(C(=O)NC1CCSC1)C1CNC1
InChIInChI=1S/C10H18N2OS/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h7-9,11H,2-6H2,1H3,(H,12,13)
InChIKeyPSWNXBYDCUJQRM-UHFFFAOYSA-N
XLogP0.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-(thiolan-3-yl)butanamide
CID 130694647
S-[2-(2-methylbutanoylamino)butyl] ethanethioate
CID 22091047
(2S)-2-(2-aminoethylsulfanylmethyl)-N,3-dimethyl-N-propan-2-ylbutanamide
CID 87280867
5-oxo-N-propan-2-ylthiolane-3-carboxamide
CID 126995325
3-(2,2-dimethylpropylsulfanyl)-2-methyl-N-propan-2-ylbutanamide
CID 130435589
N-butan-2-yl-5-oxothiolane-3-carboxamide
CID 131157159
(3S,4R)-3-methyl-4-(propylsulfanylmethyl)azetidin-2-one
CID 132219398
N-[(3S)-5,5-dimethylthiolan-3-yl]-2-methylpropanamide
CID 146435483
4-(dimethylamino)-3-(2-methylpropylsulfanyl)-N-propan-2-ylbutanamide
CID 152946130
(2S)-2-amino-3-methyl-1-(5-thia-2,8-diazaspiro[3.4]octan-2-yl)butan-1-one
CID 169318636
(2R)-2-amino-3-methyl-1-(5-thia-2,8-diazaspiro[3.4]octan-2-yl)butan-1-one
CID 169318661
(2S)-2-amino-3-methyl-1-(5-thia-2,8-diazaspiro[3.4]octan-8-yl)butan-1-one
CID 169318718

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide (CID 103063076) is 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide is CC(C(=O)NC1CCSC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide?
The InChIKey is PSWNXBYDCUJQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(8-4-11-5-8)10(13)12-9-2-3-14-6-9/h7-9,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide?
2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide has a molecular weight of 214.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 103063076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).