[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol

C10H19NO3S — CID 117270509

IUPAC[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
SMILESO=S1(=O)CCCCC1C1CNC(CO)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-5-8(6-11-9)10-3-1-2-4-15(10,13)14/h8-12H,1-7H2
InChIKeyBMMFEKPJTXKURO-UHFFFAOYSA-N
MW233.33 g/mol
LogP-0.08
Rot. Bonds2

About [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol

[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 117270509) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
PubChem CID117270509
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol
SMILESO=S1(=O)CCCCC1C1CNC(CO)C1
InChIInChI=1S/C10H19NO3S/c12-7-9-5-8(6-11-9)10-3-1-2-4-15(10,13)14/h8-12H,1-7H2
InChIKeyBMMFEKPJTXKURO-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-(5-methylpyrrolidin-3-yl)thiane 1,1-dioxide
CID 117269689
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
[4-(1-ethylpiperidin-2-yl)pyrrolidin-2-yl]methanol
CID 117270525
[4-[(1,1-dioxothian-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270425
[4-(1,1-dioxothiolan-2-yl)-2-methylpyrrolidin-2-yl]methanol
CID 117270483
[4-(1-methylpyrrolidin-2-yl)pyrrolidin-2-yl]methanol
CID 117270490
2-(azepan-2-yl)thiane 1,1-dioxide
CID 104517922
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)acetic acid
CID 586767
2-(piperazin-1-ylmethyl)thiane 1,1-dioxide
CID 104519129
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
CID 105460990
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol (CID 117270509) is [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol is O=S1(=O)CCCCC1C1CNC(CO)C1.
What is the InChIKey of [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is BMMFEKPJTXKURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-7-9-5-8(6-11-9)10-3-1-2-4-15(10,13)14/h8-12H,1-7H2.
What are the key properties of [4-(1,1-dioxothian-2-yl)pyrrolidin-2-yl]methanol?
[4-(1,1-dioxothian-2-yl)pyrrolidin-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-dioxothian-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).