2-amino-1,1-dioxothiolan-2-ol

C4H9NO3S — CID 160841811

IUPAC2-amino-1,1-dioxothiolan-2-ol
SMILESNC1(O)CCCS1(=O)=O
InChIInChI=1S/C4H9NO3S/c5-4(6)2-1-3-9(4,7)8/h6H,1-3,5H2
InChIKeySIDCFQPEGQHEDC-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.20
Rot. Bonds

About 2-amino-1,1-dioxothiolan-2-ol

2-amino-1,1-dioxothiolan-2-ol (PubChem CID 160841811) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-amino-1,1-dioxothiolan-2-ol.

Molecular Properties

Compound Name2-amino-1,1-dioxothiolan-2-ol
PubChem CID160841811
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name2-amino-1,1-dioxothiolan-2-ol
SMILESNC1(O)CCCS1(=O)=O
InChIInChI=1S/C4H9NO3S/c5-4(6)2-1-3-9(4,7)8/h6H,1-3,5H2
InChIKeySIDCFQPEGQHEDC-UHFFFAOYSA-N
XLogP-1.20
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminocyclopentane-1-carboxylic acid
CID 2901
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
1λ6,11λ6-dithiaspiro[3.7]undecane 1,1,11,11-tetraoxide
CID 118914060
(1,1-dioxo-2-propan-2-ylthiolan-2-yl)methanamine
CID 84772128
1,1-dioxo-2-propan-2-ylthiane-2-carboxylic acid
CID 84787507
1-aminocyclobutan-1-ol;hydrochloride
CID 135146045
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-hydroxycyclopentane-1-carboxamide
CID 12857769
1-aminocyclopentane-1-carboxamide
CID 139066563
3-ethyl-1,1-dioxothian-3-ol
CID 83683380
2-(2-methyl-1,1-dioxothian-2-yl)ethanamine
CID 115018801

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-dioxothiolan-2-ol?
The IUPAC name of 2-amino-1,1-dioxothiolan-2-ol (CID 160841811) is 2-amino-1,1-dioxothiolan-2-ol.
What is the SMILES notation for 2-amino-1,1-dioxothiolan-2-ol?
The canonical SMILES for 2-amino-1,1-dioxothiolan-2-ol is NC1(O)CCCS1(=O)=O.
What is the InChIKey of 2-amino-1,1-dioxothiolan-2-ol?
The InChIKey is SIDCFQPEGQHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c5-4(6)2-1-3-9(4,7)8/h6H,1-3,5H2.
What are the key properties of 2-amino-1,1-dioxothiolan-2-ol?
2-amino-1,1-dioxothiolan-2-ol has a molecular weight of 151.19 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-dioxothiolan-2-ol is sourced from PubChem (CID 160841811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).