2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol

C14H30N2O3S — CID 102887298

IUPAC2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H30N2O3S/c1-4-7-15-14(3,12-17)6-5-8-16-9-10-20(18,19)11-13(16)2/h13,15,17H,4-12H2,1-3H3
InChIKeyQKLRTSVDEKNLFH-UHFFFAOYSA-N
MW306.47 g/mol
LogP0.64
Rot. Bonds8

About 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol

2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol (PubChem CID 102887298) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
PubChem CID102887298
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H30N2O3S/c1-4-7-15-14(3,12-17)6-5-8-16-9-10-20(18,19)11-13(16)2/h13,15,17H,4-12H2,1-3H3
InChIKeyQKLRTSVDEKNLFH-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol with MolForge

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887294
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoic acid
CID 102886138
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
CID 102886196
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102886124
ethyl 2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanoate
CID 102886211
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
N-tert-butyl-2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-amine
CID 102886565
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol (CID 102887298) is 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN1CCS(=O)(=O)CC1C.
What is the InChIKey of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol?
The InChIKey is QKLRTSVDEKNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-4-7-15-14(3,12-17)6-5-8-16-9-10-20(18,19)11-13(16)2/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol?
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol has a molecular weight of 306.47 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 102887298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).