4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide

C10H21NOS — CID 68641609

IUPAC4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
SMILESCC(C)(C)CCN1CCS(=O)CC1
InChIInChI=1S/C10H21NOS/c1-10(2,3)4-5-11-6-8-13(12)9-7-11/h4-9H2,1-3H3
InChIKeyVBZXPRMBUYVJQP-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide

4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide (PubChem CID 68641609) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
PubChem CID68641609
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
SMILESCC(C)(C)CCN1CCS(=O)CC1
InChIInChI=1S/C10H21NOS/c1-10(2,3)4-5-11-6-8-13(12)9-7-11/h4-9H2,1-3H3
InChIKeyVBZXPRMBUYVJQP-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide (CID 68641609) is 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide is CC(C)(C)CCN1CCS(=O)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide?
The InChIKey is VBZXPRMBUYVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,3)4-5-11-6-8-13(12)9-7-11/h4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide?
4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 68641609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).