1,1-dioxo-N-propylthiolan-3-amine chloride

C7H15ClNO2S- — CID 21206464

IUPAC1,1-dioxo-N-propylthiolan-3-amine chloride
SMILESCCCNC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C7H15NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h7-8H,2-6H2,1H3;1H/p-1
InChIKeyLMTHWQJONYDTII-UHFFFAOYSA-M
MW212.72 g/mol
LogP-2.82
Rot. Bonds3

About 1,1-dioxo-N-propylthiolan-3-amine chloride

1,1-dioxo-N-propylthiolan-3-amine chloride (PubChem CID 21206464) has the molecular formula C7H15ClNO2S- and a molecular weight of 212.72 g/mol. Its IUPAC name is 1,1-dioxo-N-propylthiolan-3-amine chloride.

Molecular Properties

Compound Name1,1-dioxo-N-propylthiolan-3-amine chloride
PubChem CID21206464
Molecular FormulaC7H15ClNO2S-
Molecular Weight212.72 g/mol
Exact Mass212.05
IUPAC Name1,1-dioxo-N-propylthiolan-3-amine chloride
SMILESCCCNC1CCS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C7H15NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h7-8H,2-6H2,1H3;1H/p-1
InChIKeyLMTHWQJONYDTII-UHFFFAOYSA-M
XLogP-2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-propylthiolan-3-amine chloride?
The IUPAC name of 1,1-dioxo-N-propylthiolan-3-amine chloride (CID 21206464) is 1,1-dioxo-N-propylthiolan-3-amine chloride.
What is the SMILES notation for 1,1-dioxo-N-propylthiolan-3-amine chloride?
The canonical SMILES for 1,1-dioxo-N-propylthiolan-3-amine chloride is CCCNC1CCS(=O)(=O)C1.[Cl-].
What is the InChIKey of 1,1-dioxo-N-propylthiolan-3-amine chloride?
The InChIKey is LMTHWQJONYDTII-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h7-8H,2-6H2,1H3;1H/p-1.
What are the key properties of 1,1-dioxo-N-propylthiolan-3-amine chloride?
1,1-dioxo-N-propylthiolan-3-amine chloride has a molecular weight of 212.72 g/mol, XLogP of -2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-propylthiolan-3-amine chloride is sourced from PubChem (CID 21206464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).