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

C5H12ClNO2S — CID 121207655

IUPAC(1,1-dioxothiolan-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S.ClH/c6-4-5-2-1-3-9(5,7)8;/h5H,1-4,6H2;1H
InChIKeyXRHWRHWFUHGJFD-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.06
Rot. Bonds1

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

(1,1-dioxothiolan-2-yl)methanamine;hydrochloride (PubChem CID 121207655) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is (1,1-dioxothiolan-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothiolan-2-yl)methanamine;hydrochloride
PubChem CID121207655
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name(1,1-dioxothiolan-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S.ClH/c6-4-5-2-1-3-9(5,7)8;/h5H,1-4,6H2;1H
InChIKeyXRHWRHWFUHGJFD-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-2-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dioxothiolan-2-yl)methanamine;hydrochloride (CID 121207655) is (1,1-dioxothiolan-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dioxothiolan-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dioxothiolan-2-yl)methanamine;hydrochloride is Cl.NCC1CCCS1(=O)=O.
What is the InChIKey of (1,1-dioxothiolan-2-yl)methanamine;hydrochloride?
The InChIKey is XRHWRHWFUHGJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c6-4-5-2-1-3-9(5,7)8;/h5H,1-4,6H2;1H.
What are the key properties of (1,1-dioxothiolan-2-yl)methanamine;hydrochloride?
(1,1-dioxothiolan-2-yl)methanamine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.06, 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;hydrochloride is sourced from PubChem (CID 121207655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).