2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

C9H19NO3S — CID 103878593

IUPAC2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19NO3S/c1-8(6-11)5-10-3-4-14(12,13)7-9(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyXJBYEBDONHVMPA-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.27
Rot. Bonds3

About 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol

2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 103878593) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID103878593
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC(CO)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H19NO3S/c1-8(6-11)5-10-3-4-14(12,13)7-9(10)2/h8-9,11H,3-7H2,1-2H3
InChIKeyXJBYEBDONHVMPA-UHFFFAOYSA-N
XLogP-0.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentane-1-thiol
CID 102887575
3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
CID 103366490
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 106992286
ethyl 2-(methylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886224
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol (CID 103878593) is 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is CC(CO)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is XJBYEBDONHVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(6-11)5-10-3-4-14(12,13)7-9(10)2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol?
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 221.32 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 103878593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).