1,1-dioxothiolan-3-amine;hydrochloride

C4H10ClNO2S — CID 2795201

IUPAC1,1-dioxothiolan-3-amine;hydrochloride
SMILESCl.NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
MW171.65 g/mol
LogP-0.45
Rot. Bonds

About 1,1-dioxothiolan-3-amine;hydrochloride

1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 2795201) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is 1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID2795201
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Name1,1-dioxothiolan-3-amine;hydrochloride
SMILESCl.NC1CCS(=O)(=O)C1
InChIInChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKeyMGZQMSFXPSKBDY-UHFFFAOYSA-N
XLogP-0.45
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;sulfuric acid
CID 154884353
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
(3S,4S)-3-iodo-1,1-dioxothian-4-amine
CID 89493495
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
(3S)-1,1-dioxothiolan-3-ol
CID 98144245
3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxothiolan-3-amine;hydrochloride (CID 2795201) is 1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxothiolan-3-amine;hydrochloride is Cl.NC1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is MGZQMSFXPSKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H.
What are the key properties of 1,1-dioxothiolan-3-amine;hydrochloride?
1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 2795201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).