N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide

C12H23N3O4S — CID 60945625

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O4S/c16-7-6-15(11-1-8-20(18,19)10-11)12(17)9-14-4-2-13-3-5-14/h11,13,16H,1-10H2
InChIKeyUJSLTMSWKSMXBH-UHFFFAOYSA-N
MW305.40 g/mol
LogP-2.10
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide (PubChem CID 60945625) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
PubChem CID60945625
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23N3O4S/c16-7-6-15(11-1-8-20(18,19)10-11)12(17)9-14-4-2-13-3-5-14/h11,13,16H,1-10H2
InChIKeyUJSLTMSWKSMXBH-UHFFFAOYSA-N
XLogP-2.10
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
2-(2,2-dimethylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 65461375
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-(prop-2-enylamino)acetamide
CID 79285029
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
2-(4-cyclopentylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 128927537
2-hydroxyethyl N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamate
CID 79345370
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 55591562
potassium N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)carbamodithioate
CID 18876358
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
4-[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993094
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 60505525

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide (CID 60945625) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide?
The InChIKey is UJSLTMSWKSMXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c16-7-6-15(11-1-8-20(18,19)10-11)12(17)9-14-4-2-13-3-5-14/h11,13,16H,1-10H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide has a molecular weight of 305.40 g/mol, XLogP of -2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60945625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).