2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine

C10H19NO2S — CID 115336614

IUPAC2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
SMILESNC(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-10H,1-7,11H2
InChIKeyBSXPFMSRYDYYQF-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.94
Rot. Bonds3

About 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine

2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 115336614) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
PubChem CID115336614
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
SMILESNC(CC1CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-10H,1-7,11H2
InChIKeyBSXPFMSRYDYYQF-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
CID 200358
8-Amino-5lambda6-thiaspiro(3.5)nonane-5,5-dione hydrochloride
CID 132313729
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-amine
CID 105156314
3-(3-Ethylsulfonylpropyl)-3-fluorocyclobutan-1-amine
CID 112564114
1-(1,1-Dioxothiolan-3-yl)-6,6,6-trifluorohexan-2-amine
CID 113688921
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
CID 115517578
8-Amino-5lambda6-thiaspiro[3.5]nonane-5,5-dione
CID 132313730
(1S)-1-[(2S)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
CID 58814856
(1R)-1-[(2S)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
CID 58815062
1-(1,1-Dioxothiolan-2-yl)-2-methylpropan-1-amine
CID 70331228
(1R)-1-[(2R)-1,1-dioxothiolan-2-yl]-2-methylpropan-1-amine
CID 70671980

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine (CID 115336614) is 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine is NC(CC1CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is BSXPFMSRYDYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c11-10(6-8-2-1-3-8)9-4-5-14(12,13)7-9/h8-10H,1-7,11H2.
What are the key properties of 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine?
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 217.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 115336614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).