4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide

C9H17NOS — CID 130684307

IUPAC4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide
SMILESC=C(CC)CN1CCS(=O)CC1
InChIInChI=1S/C9H17NOS/c1-3-9(2)8-10-4-6-12(11)7-5-10/h2-8H2,1H3
InChIKeyDGVVJENJIYITHO-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.02
Rot. Bonds3

About 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide

4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide (PubChem CID 130684307) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide
PubChem CID130684307
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide
SMILESC=C(CC)CN1CCS(=O)CC1
InChIInChI=1S/C9H17NOS/c1-3-9(2)8-10-4-6-12(11)7-5-10/h2-8H2,1H3
InChIKeyDGVVJENJIYITHO-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide (CID 130684307) is 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide is C=C(CC)CN1CCS(=O)CC1.
What is the InChIKey of 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide?
The InChIKey is DGVVJENJIYITHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-3-9(2)8-10-4-6-12(11)7-5-10/h2-8H2,1H3.
What are the key properties of 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide?
4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide has a molecular weight of 187.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylidenebutyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130684307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).