N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide

C10H18N2O4S — CID 63922551

IUPACN-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O4S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-17(15,16)6-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyBLCJWTKXAGEVIN-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.60
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide

N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 63922551) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID63922551
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C1CC(O)CN1
InChIInChI=1S/C10H18N2O4S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-17(15,16)6-7/h7-9,11,13H,1-6H2,(H,12,14)
InChIKeyBLCJWTKXAGEVIN-UHFFFAOYSA-N
XLogP-1.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide
CID 114424060
N-(1,1-dioxothian-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908870
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 112753360
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250
3-amino-N-(1,1-dioxothian-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119784472
N-cyclohexylaziridine-2-carboxamide
CID 142164432

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide (CID 63922551) is N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide is O=C(NC1CCCS(=O)(=O)C1)C1CC(O)CN1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is BLCJWTKXAGEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-8-4-9(11-5-8)10(14)12-7-2-1-3-17(15,16)6-7/h7-9,11,13H,1-6H2,(H,12,14).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide?
N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 63922551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).