(1,1-dioxothietan-3-yl)methanamine;hydrochloride

C4H10ClNO2S — CID 86730691

IUPAC(1,1-dioxothietan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-1-4-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyDFQLYCGEJHFJJB-UHFFFAOYSA-N
MW171.65 g/mol
LogP-0.59
Rot. Bonds1

About (1,1-dioxothietan-3-yl)methanamine;hydrochloride

(1,1-dioxothietan-3-yl)methanamine;hydrochloride (PubChem CID 86730691) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is (1,1-dioxothietan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1,1-dioxothietan-3-yl)methanamine;hydrochloride
PubChem CID86730691
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name(1,1-dioxothietan-3-yl)methanamine;hydrochloride
SMILESCl.NCC1CS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-1-4-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyDFQLYCGEJHFJJB-UHFFFAOYSA-N
XLogP-0.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothietan-3-yl)methanamine;hydrochloride?
The IUPAC name of (1,1-dioxothietan-3-yl)methanamine;hydrochloride (CID 86730691) is (1,1-dioxothietan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1,1-dioxothietan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1,1-dioxothietan-3-yl)methanamine;hydrochloride is Cl.NCC1CS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxothietan-3-yl)methanamine;hydrochloride?
The InChIKey is DFQLYCGEJHFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c5-1-4-2-8(6,7)3-4;/h4H,1-3,5H2;1H.
What are the key properties of (1,1-dioxothietan-3-yl)methanamine;hydrochloride?
(1,1-dioxothietan-3-yl)methanamine;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothietan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 86730691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).