[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol

C10H19NO3S — CID 117270483

IUPAC[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(C2CCCS2(=O)=O)CN1
InChIInChI=1S/C10H19NO3S/c1-10(7-12)5-8(6-11-10)9-3-2-4-15(9,13)14/h8-9,11-12H,2-7H2,1H3
InChIKeyVUJZRUACJGKWCT-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.08
Rot. Bonds2

About [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol

[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol (PubChem CID 117270483) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
PubChem CID117270483
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
SMILESCC1(CO)CC(C2CCCS2(=O)=O)CN1
InChIInChI=1S/C10H19NO3S/c1-10(7-12)5-8(6-11-10)9-3-2-4-15(9,13)14/h8-9,11-12H,2-7H2,1H3
InChIKeyVUJZRUACJGKWCT-UHFFFAOYSA-N
XLogP-0.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-4-pyrrolidin-3-ylpyrrolidin-2-yl)methanol
CID 117270353
[4-(1,1-dioxothiolan-3-yl)-2-methylpiperidin-2-yl]methanol
CID 117258437
(4-ethyl-2-methylpyrrolidin-2-yl)methanol
CID 117270750
[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
CID 117270509
[2-methyl-4-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270438
2-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227876
[4-[(dimethylamino)methyl]-2-methylpyrrolidin-2-yl]methanol
CID 117270886
4-cyclobutyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270860
methyl 4-[(1,1-dioxothiolan-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270040
(4-ethyl-2-methylpiperidin-2-yl)methanol
CID 117258535
4-cyclopropyl-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270856

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol (CID 117270483) is [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol is CC1(CO)CC(C2CCCS2(=O)=O)CN1.
What is the InChIKey of [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol?
The InChIKey is VUJZRUACJGKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-10(7-12)5-8(6-11-10)9-3-2-4-15(9,13)14/h8-9,11-12H,2-7H2,1H3.
What are the key properties of [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol?
[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol has a molecular weight of 233.33 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).