2,5-dimethyl-1,4-thiazinane 1-oxide

C6H13NOS — CID 66241644

IUPAC2,5-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)C(C)CN1
InChIInChI=1S/C6H13NOS/c1-5-4-9(8)6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyVVRLKELTTRHIQW-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.12
Rot. Bonds

About 2,5-dimethyl-1,4-thiazinane 1-oxide

2,5-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 66241644) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,5-dimethyl-1,4-thiazinane 1-oxide
PubChem CID66241644
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2,5-dimethyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)C(C)CN1
InChIInChI=1S/C6H13NOS/c1-5-4-9(8)6(2)3-7-5/h5-7H,3-4H2,1-2H3
InChIKeyVVRLKELTTRHIQW-UHFFFAOYSA-N
XLogP0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tris(2-methylaziridine);propanoic acid
CID 175600727
7-methyl-3-(trifluoromethyl)-1,4-thiazepane 1-oxide
CID 66227387
2,5-dimethylpiperazine;methanethiol
CID 170737896
3-ethyl-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 66241652
2-methyl-7-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]thiazine 1-oxide
CID 66243498
3-methyl-1,2,5-thiadiazolidine 1-oxide
CID 89345474
2-methyl-4-propylthiolane 1-oxide
CID 147789448
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
2-[(3S)-5-methylpyrrolidin-3-yl]acetic acid
CID 121313483
(2R,4S)-4-(difluoromethyl)-2-methylpyrrolidine
CID 178147486
3,7-dimethyl-1,4-diazepan-5-one
CID 55287243

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,5-dimethyl-1,4-thiazinane 1-oxide (CID 66241644) is 2,5-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,5-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,5-dimethyl-1,4-thiazinane 1-oxide is CC1CS(=O)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is VVRLKELTTRHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5-4-9(8)6(2)3-7-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,4-thiazinane 1-oxide?
2,5-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66241644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).