6-methyl-1,1-dioxothian-3-amine;hydrochloride

C6H14ClNO2S — CID 122164104

IUPAC6-methyl-1,1-dioxothian-3-amine;hydrochloride
SMILESCC1CCC(N)CS1(=O)=O.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-5-2-3-6(7)4-10(5,8)9;/h5-6H,2-4,7H2,1H3;1H
InChIKeyCQIHLJGSCDHORH-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.33
Rot. Bonds

About 6-methyl-1,1-dioxothian-3-amine;hydrochloride

6-methyl-1,1-dioxothian-3-amine;hydrochloride (PubChem CID 122164104) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 6-methyl-1,1-dioxothian-3-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-1,1-dioxothian-3-amine;hydrochloride
PubChem CID122164104
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name6-methyl-1,1-dioxothian-3-amine;hydrochloride
SMILESCC1CCC(N)CS1(=O)=O.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-5-2-3-6(7)4-10(5,8)9;/h5-6H,2-4,7H2,1H3;1H
InChIKeyCQIHLJGSCDHORH-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxothian-3-amine;hydrochloride?
The IUPAC name of 6-methyl-1,1-dioxothian-3-amine;hydrochloride (CID 122164104) is 6-methyl-1,1-dioxothian-3-amine;hydrochloride.
What is the SMILES notation for 6-methyl-1,1-dioxothian-3-amine;hydrochloride?
The canonical SMILES for 6-methyl-1,1-dioxothian-3-amine;hydrochloride is CC1CCC(N)CS1(=O)=O.Cl.
What is the InChIKey of 6-methyl-1,1-dioxothian-3-amine;hydrochloride?
The InChIKey is CQIHLJGSCDHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-5-2-3-6(7)4-10(5,8)9;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of 6-methyl-1,1-dioxothian-3-amine;hydrochloride?
6-methyl-1,1-dioxothian-3-amine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxothian-3-amine;hydrochloride is sourced from PubChem (CID 122164104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).