N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide

C8H15NO4S — CID 164654059

IUPACN-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
SMILESC[C@@H](O)CNC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6(10)5-9-8(11)7-3-2-4-14(7,12)13/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyFVUXFPRFWUNFLQ-ULUSZKPHSA-N
MW221.28 g/mol
LogP-0.94
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide

N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide (PubChem CID 164654059) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
PubChem CID164654059
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC NameN-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide
SMILESC[C@@H](O)CNC(=O)C1CCCS1(=O)=O
InChIInChI=1S/C8H15NO4S/c1-6(10)5-9-8(11)7-3-2-4-14(7,12)13/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyFVUXFPRFWUNFLQ-ULUSZKPHSA-N
XLogP-0.94
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 ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-1,1-dioxothiolane-2-carboxamide
CID 164655113
N-(2-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519277
N-(4-chloro-2-methylbutyl)-1,1-dioxothiane-2-carboxamide
CID 104522379
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(5-hydroxy-4-methylpentyl)-1,1-dioxothiane-2-carboxamide
CID 104920511
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,1-dioxothiane-2-carboxamide
CID 104520487
N-(4-chlorobutan-2-yl)-1,1-dioxothiane-2-carboxamide
CID 104522465
3-[(1,1-dioxothiane-2-carbonyl)amino]propanoic acid
CID 104517400
2-amino-1-(1,1-dioxothiolan-2-yl)propan-1-one
CID 115018608
N-(3-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519274
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide (CID 164654059) is N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide is C[C@@H](O)CNC(=O)C1CCCS1(=O)=O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide?
The InChIKey is FVUXFPRFWUNFLQ-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-6(10)5-9-8(11)7-3-2-4-14(7,12)13/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide?
N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1,1-dioxothiolane-2-carboxamide is sourced from PubChem (CID 164654059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).