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

C10H21NO2S — CID 20792987

IUPAC4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)4-5-11-6-8-14(12,13)9-7-11/h4-9H2,1-3H3
InChIKeyNUCNXRQNAIRCEI-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.15
Rot. Bonds2

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

4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 20792987) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide
PubChem CID20792987
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-10(2,3)4-5-11-6-8-14(12,13)9-7-11/h4-9H2,1-3H3
InChIKeyNUCNXRQNAIRCEI-UHFFFAOYSA-N
XLogP1.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide (CID 20792987) is 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide is CC(C)(C)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is NUCNXRQNAIRCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-10(2,3)4-5-11-6-8-14(12,13)9-7-11/h4-9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide?
4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 219.35 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 20792987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).