4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide

C10H21NOS — CID 126999390

IUPAC4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC(C)N1CCS(=O)CC1(C)C
InChIInChI=1S/C10H21NOS/c1-5-9(2)11-6-7-13(12)8-10(11,3)4/h9H,5-8H2,1-4H3
InChIKeyWHNUYMOAYNWVIC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds2

About 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide

4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 126999390) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID126999390
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCCC(C)N1CCS(=O)CC1(C)C
InChIInChI=1S/C10H21NOS/c1-5-9(2)11-6-7-13(12)8-10(11,3)4/h9H,5-8H2,1-4H3
InChIKeyWHNUYMOAYNWVIC-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide (CID 126999390) is 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide is CCC(C)N1CCS(=O)CC1(C)C.
What is the InChIKey of 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is WHNUYMOAYNWVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-9(2)11-6-7-13(12)8-10(11,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide?
4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 126999390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).