(4-methyl-1,1-dioxothian-4-yl)methanamine

C7H15NO2S — CID 84767493

IUPAC(4-methyl-1,1-dioxothian-4-yl)methanamine
SMILESCC1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(6-8)2-4-11(9,10)5-3-7/h2-6,8H2,1H3
InChIKeyNPWXXJYDEXVNBM-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.16
Rot. Bonds1

About (4-methyl-1,1-dioxothian-4-yl)methanamine

(4-methyl-1,1-dioxothian-4-yl)methanamine (PubChem CID 84767493) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (4-methyl-1,1-dioxothian-4-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1,1-dioxothian-4-yl)methanamine
PubChem CID84767493
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(4-methyl-1,1-dioxothian-4-yl)methanamine
SMILESCC1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C7H15NO2S/c1-7(6-8)2-4-11(9,10)5-3-7/h2-6,8H2,1H3
InChIKeyNPWXXJYDEXVNBM-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,1-dioxothian-4-yl)methanamine?
The IUPAC name of (4-methyl-1,1-dioxothian-4-yl)methanamine (CID 84767493) is (4-methyl-1,1-dioxothian-4-yl)methanamine.
What is the SMILES notation for (4-methyl-1,1-dioxothian-4-yl)methanamine?
The canonical SMILES for (4-methyl-1,1-dioxothian-4-yl)methanamine is CC1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of (4-methyl-1,1-dioxothian-4-yl)methanamine?
The InChIKey is NPWXXJYDEXVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(6-8)2-4-11(9,10)5-3-7/h2-6,8H2,1H3.
What are the key properties of (4-methyl-1,1-dioxothian-4-yl)methanamine?
(4-methyl-1,1-dioxothian-4-yl)methanamine has a molecular weight of 177.27 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,1-dioxothian-4-yl)methanamine is sourced from PubChem (CID 84767493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).