N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide

C8H15NO4S — CID 43418379

IUPACN-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S/c1-6(10)4-9-8(11)7-2-3-14(12,13)5-7/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyWBEZZTBNHXXWGE-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.08
Rot. Bonds3

About N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide

N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 43418379) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID43418379
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC NameN-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
SMILESCC(O)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H15NO4S/c1-6(10)4-9-8(11)7-2-3-14(12,13)5-7/h6-7,10H,2-5H2,1H3,(H,9,11)
InChIKeyWBEZZTBNHXXWGE-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
N-(2-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 113258709
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2,2-diphenylethyl)-1,1-dioxothiolane-3-carboxamide
CID 134012964
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiolane-3-carboxamide
CID 103862378
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
tert-butyl N-[(2S)-3-[[(3S)-1,1-dioxothiolane-3-carbonyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 95620427
1,1-dioxo-N-(3-oxobutan-2-yl)thiolane-3-carboxamide
CID 64997033
N-(4-bromobutan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 83178660
N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
CID 7172187
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide (CID 43418379) is N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide is CC(O)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WBEZZTBNHXXWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6(10)4-9-8(11)7-2-3-14(12,13)5-7/h6-7,10H,2-5H2,1H3,(H,9,11).
What are the key properties of N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide?
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 221.28 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 43418379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).