(1,1-dioxothiolan-2-yl)methanamine

C5H11NO2S — CID 55289628

IUPAC(1,1-dioxothiolan-2-yl)methanamine
SMILESNCC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4,6H2
InChIKeyKEVGTNCSNMGZGG-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.48
Rot. Bonds1

About (1,1-dioxothiolan-2-yl)methanamine

(1,1-dioxothiolan-2-yl)methanamine (PubChem CID 55289628) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (1,1-dioxothiolan-2-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxothiolan-2-yl)methanamine
PubChem CID55289628
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(1,1-dioxothiolan-2-yl)methanamine
SMILESNCC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4,6H2
InChIKeyKEVGTNCSNMGZGG-UHFFFAOYSA-N
XLogP-0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium (1,1-dioxothiolan-2-yl)methanesulfinate
CID 165450276
(4-methyl-1,1-dioxo-1,4-thiazepan-2-yl)methanamine
CID 84772482
(1,1-dioxothiolan-2-yl)methyl methanesulfonate
CID 146441865
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
4-(aminomethyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexane-1-carboxamide
CID 81038381
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
2-amino-3-(1,1-dioxothiolan-2-yl)propanamide
CID 165485039
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
(4,4-dioxo-1,4-oxathian-3-yl)methanamine
CID 171823748
2-(3-bromo-2-methylpropyl)thiolane 1,1-dioxide
CID 165442715
2-[(1,1-dioxothiolan-2-yl)methylamino]ethanesulfonamide
CID 114385112

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-2-yl)methanamine?
The IUPAC name of (1,1-dioxothiolan-2-yl)methanamine (CID 55289628) is (1,1-dioxothiolan-2-yl)methanamine.
What is the SMILES notation for (1,1-dioxothiolan-2-yl)methanamine?
The canonical SMILES for (1,1-dioxothiolan-2-yl)methanamine is NCC1CCCS1(=O)=O.
What is the InChIKey of (1,1-dioxothiolan-2-yl)methanamine?
The InChIKey is KEVGTNCSNMGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4,6H2.
What are the key properties of (1,1-dioxothiolan-2-yl)methanamine?
(1,1-dioxothiolan-2-yl)methanamine has a molecular weight of 149.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-2-yl)methanamine is sourced from PubChem (CID 55289628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).