2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate

C9H17NO6S — CID 79345370

IUPAC2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S/c11-3-2-10(9(13)16-5-4-12)8-1-6-17(14,15)7-8/h8,11-12H,1-7H2
InChIKeyZFDRKSAMASELBX-UHFFFAOYSA-N
MW267.30 g/mol
LogP-1.40
Rot. Bonds5

About 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate

2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate (PubChem CID 79345370) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
PubChem CID79345370
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
SMILESO=C(OCCO)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H17NO6S/c11-3-2-10(9(13)16-5-4-12)8-1-6-17(14,15)7-8/h8,11-12H,1-7H2
InChIKeyZFDRKSAMASELBX-UHFFFAOYSA-N
XLogP-1.40
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)carbamate
CID 79346493
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanediamide
CID 54870819
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978363
1-(1,1-dioxothiolan-3-yl)-3-[6-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)carbamoyl]amino]hexyl]-1-(2-hydroxyethyl)urea
CID 18801531
2-hydroxyethyl N-cyclopropyl-N-propylcarbamate
CID 79346146
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115439230
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(prop-2-enylamino)acetamide
CID 79285029
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)formamide
CID 62113335

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate (CID 79345370) is 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate is O=C(OCCO)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate?
The InChIKey is ZFDRKSAMASELBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c11-3-2-10(9(13)16-5-4-12)8-1-6-17(14,15)7-8/h8,11-12H,1-7H2.
What are the key properties of 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate?
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate has a molecular weight of 267.30 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 79345370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).