3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide

C9H18N2O2S — CID 146082032

IUPAC3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
SMILESCSC(C)CNC(=O)N1CC(CO)C1
InChIInChI=1S/C9H18N2O2S/c1-7(14-2)3-10-9(13)11-4-8(5-11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyHVMMUWACPGYGHS-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.37
Rot. Bonds4

About 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide

3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide (PubChem CID 146082032) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
PubChem CID146082032
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
SMILESCSC(C)CNC(=O)N1CC(CO)C1
InChIInChI=1S/C9H18N2O2S/c1-7(14-2)3-10-9(13)11-4-8(5-11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13)
InChIKeyHVMMUWACPGYGHS-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
(3S)-1-(2-methylsulfanylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 104861473
3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
CID 131036123
3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide
CID 129337717
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
2-[1-[2-(dimethylamino)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616867
(2S)-2-chloro-1-[3-(hydroxymethyl)azetidin-1-yl]propan-1-one
CID 129413753
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 97241639
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide (CID 146082032) is 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide is CSC(C)CNC(=O)N1CC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide?
The InChIKey is HVMMUWACPGYGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(14-2)3-10-9(13)11-4-8(5-11)6-12/h7-8,12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide?
3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide has a molecular weight of 218.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 146082032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).