4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol

C9H19NO4S — CID 106246276

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-14-8-9(11)2-3-10-4-6-15(12,13)7-5-10/h9,11H,2-8H2,1H3
InChIKeyHGCUSCSAHPGGTE-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.89
Rot. Bonds5

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol

4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol (PubChem CID 106246276) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
PubChem CID106246276
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-14-8-9(11)2-3-10-4-6-15(12,13)7-5-10/h9,11H,2-8H2,1H3
InChIKeyHGCUSCSAHPGGTE-UHFFFAOYSA-N
XLogP-0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol with MolForge

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Related Compounds

1-methoxy-4-piperidin-1-ylbutan-2-ol
CID 106246219
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methoxypropan-2-amine
CID 81101028
4-(3,3-diethylazetidin-1-yl)-1-methoxybutan-2-ol
CID 106246281
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
CID 64797716
4-(2-azaspiro[3.3]heptan-2-yl)-1-methoxybutan-2-ol
CID 106246282
3-methoxypropyl 3-(1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 58283303
(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 126975442
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
2-(cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)butanoic acid
CID 55142771
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
CID 63055271
1-[4-[2-hydroxy-4-(4-methylpiperazin-1-yl)butoxy]phenoxy]-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 3131868

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol (CID 106246276) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol is COCC(O)CCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol?
The InChIKey is HGCUSCSAHPGGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-14-8-9(11)2-3-10-4-6-15(12,13)7-5-10/h9,11H,2-8H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol has a molecular weight of 237.32 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-methoxybutan-2-ol is sourced from PubChem (CID 106246276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).