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

C10H21NO3S — CID 59691476

IUPAC2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESCC(C)(C)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)11(5-6-12)9-4-7-15(13,14)8-9/h9,12H,4-8H2,1-3H3
InChIKeyHFNGGFPYYTZOML-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.27
Rot. Bonds3

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

2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol (PubChem CID 59691476) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
PubChem CID59691476
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
SMILESCC(C)(C)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)11(5-6-12)9-4-7-15(13,14)8-9/h9,12H,4-8H2,1-3H3
InChIKeyHFNGGFPYYTZOML-UHFFFAOYSA-N
XLogP0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-[tert-butyl-(1,1-dioxothian-4-yl)amino]acetic acid
CID 79269055
N-(1,1-dioxothiolan-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)formamide
CID 102566535
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 102676592
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363
methyl N-tert-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 59831582
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The IUPAC name of 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol (CID 59691476) is 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The canonical SMILES for 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol is CC(C)(C)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
The InChIKey is HFNGGFPYYTZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)11(5-6-12)9-4-7-15(13,14)8-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol?
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol has a molecular weight of 235.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol is sourced from PubChem (CID 59691476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).