4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide

C9H16ClNOS — CID 130709200

IUPAC4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESC=C(Cl)CN1CCS(=O)C(C)(C)C1
InChIInChI=1S/C9H16ClNOS/c1-8(10)6-11-4-5-13(12)9(2,3)7-11/h1,4-7H2,2-3H3
InChIKeyQTWXJGKBVNBTLN-UHFFFAOYSA-N
MW221.75 g/mol
LogP1.58
Rot. Bonds2

About 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide

4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 130709200) has the molecular formula C9H16ClNOS and a molecular weight of 221.75 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID130709200
Molecular FormulaC9H16ClNOS
Molecular Weight221.75 g/mol
Exact Mass221.06
IUPAC Name4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESC=C(Cl)CN1CCS(=O)C(C)(C)C1
InChIInChI=1S/C9H16ClNOS/c1-8(10)6-11-4-5-13(12)9(2,3)7-11/h1,4-7H2,2-3H3
InChIKeyQTWXJGKBVNBTLN-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.75
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 130709200) is 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide is C=C(Cl)CN1CCS(=O)C(C)(C)C1.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is QTWXJGKBVNBTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNOS/c1-8(10)6-11-4-5-13(12)9(2,3)7-11/h1,4-7H2,2-3H3.
What are the key properties of 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide?
4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 221.75 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130709200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).