3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol

C7H17NO3S — CID 67337250

IUPAC3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol
SMILESOCCCN1CCS(O)(O)CC1
InChIInChI=1S/C7H17NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9-11H,1-7H2
InChIKeyTYGDNSGCWOBUCB-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.44
Rot. Bonds3

About 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol

3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 67337250) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID67337250
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol
SMILESOCCCN1CCS(O)(O)CC1
InChIInChI=1S/C7H17NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9-11H,1-7H2
InChIKeyTYGDNSGCWOBUCB-UHFFFAOYSA-N
XLogP0.44
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol (CID 67337250) is 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol is OCCCN1CCS(O)(O)CC1.
What is the InChIKey of 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is TYGDNSGCWOBUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9-11H,1-7H2.
What are the key properties of 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol?
3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 195.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dihydroxy-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 67337250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).