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

C12H26N2O3S — CID 102887307

IUPAC2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H26N2O3S/c1-10(7-12(3,9-15)13-4)14-5-6-18(16,17)8-11(14)2/h10-11,13,15H,5-9H2,1-4H3
InChIKeyYDEYMMLHLQCMRW-UHFFFAOYSA-N
MW278.42 g/mol
LogP-0.15
Rot. Bonds5

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

2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (PubChem CID 102887307) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
PubChem CID102887307
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H26N2O3S/c1-10(7-12(3,9-15)13-4)14-5-6-18(16,17)8-11(14)2/h10-11,13,15H,5-9H2,1-4H3
InChIKeyYDEYMMLHLQCMRW-UHFFFAOYSA-N
XLogP-0.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol with MolForge

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Related Compounds

4-(2,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 114088007
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503167
4-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64786639
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentanenitrile
CID 102886069
2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanamide
CID 102886110
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882868
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 65322079
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64825208
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentan-1-ol
CID 64789181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (CID 102887307) is 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is CNC(C)(CO)CC(C)N1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The InChIKey is YDEYMMLHLQCMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(7-12(3,9-15)13-4)14-5-6-18(16,17)8-11(14)2/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol has a molecular weight of 278.42 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is sourced from PubChem (CID 102887307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).