2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol

C10H19NO3S — CID 102870203

IUPAC2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESO=S1(=O)CCC(N(CCO)C2CCC2)C1
InChIInChI=1S/C10H19NO3S/c12-6-5-11(9-2-1-3-9)10-4-7-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyXOABOWBHZVBNJT-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.02
Rot. Bonds4

About 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol

2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol (PubChem CID 102870203) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
PubChem CID102870203
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESO=S1(=O)CCC(N(CCO)C2CCC2)C1
InChIInChI=1S/C10H19NO3S/c12-6-5-11(9-2-1-3-9)10-4-7-15(13,14)8-10/h9-10,12H,1-8H2
InChIKeyXOABOWBHZVBNJT-UHFFFAOYSA-N
XLogP0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 54942759
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-[azetidin-3-yl(cyclobutyl)amino]ethanol
CID 102875396
1-(1,1-dioxothiolan-3-yl)-3-[6-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]amino]hexyl]-1-(2-hydroxyethyl)urea
CID 18801531

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol (CID 102870203) is 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol is O=S1(=O)CCC(N(CCO)C2CCC2)C1.
What is the InChIKey of 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The InChIKey is XOABOWBHZVBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-6-5-11(9-2-1-3-9)10-4-7-15(13,14)8-10/h9-10,12H,1-8H2.
What are the key properties of 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol has a molecular weight of 233.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol is sourced from PubChem (CID 102870203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).