(7R)-7-methyl-1,4-thiazepane 1,1-dioxide

C6H13NO2S — CID 97032251

IUPAC(7R)-7-methyl-1,4-thiazepane 1,1-dioxide
SMILESC[C@@H]1CCNCCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-2-3-7-4-5-10(6,8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyJQCHVWUZNIIXGG-ZCFIWIBFSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds

About (7R)-7-methyl-1,4-thiazepane 1,1-dioxide

(7R)-7-methyl-1,4-thiazepane 1,1-dioxide (PubChem CID 97032251) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (7R)-7-methyl-1,4-thiazepane 1,1-dioxide.

Molecular Properties

Compound Name(7R)-7-methyl-1,4-thiazepane 1,1-dioxide
PubChem CID97032251
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(7R)-7-methyl-1,4-thiazepane 1,1-dioxide
SMILESC[C@@H]1CCNCCS1(=O)=O
InChIInChI=1S/C6H13NO2S/c1-6-2-3-7-4-5-10(6,8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyJQCHVWUZNIIXGG-ZCFIWIBFSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-1,4-thiazepane 1,1-dioxide?
The IUPAC name of (7R)-7-methyl-1,4-thiazepane 1,1-dioxide (CID 97032251) is (7R)-7-methyl-1,4-thiazepane 1,1-dioxide.
What is the SMILES notation for (7R)-7-methyl-1,4-thiazepane 1,1-dioxide?
The canonical SMILES for (7R)-7-methyl-1,4-thiazepane 1,1-dioxide is C[C@@H]1CCNCCS1(=O)=O.
What is the InChIKey of (7R)-7-methyl-1,4-thiazepane 1,1-dioxide?
The InChIKey is JQCHVWUZNIIXGG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-6-2-3-7-4-5-10(6,8)9/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (7R)-7-methyl-1,4-thiazepane 1,1-dioxide?
(7R)-7-methyl-1,4-thiazepane 1,1-dioxide has a molecular weight of 163.24 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-1,4-thiazepane 1,1-dioxide is sourced from PubChem (CID 97032251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).