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

C14H28N2O3S — CID 102887294

IUPAC2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESCC1CS(=O)(=O)CCN1CCCC(C)(CO)NC1CC1
InChIInChI=1S/C14H28N2O3S/c1-12-10-20(18,19)9-8-16(12)7-3-6-14(2,11-17)15-13-4-5-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyQPJYULFYZGPALU-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.39
Rot. Bonds7

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

2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (PubChem CID 102887294) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
PubChem CID102887294
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
SMILESCC1CS(=O)(=O)CCN1CCCC(C)(CO)NC1CC1
InChIInChI=1S/C14H28N2O3S/c1-12-10-20(18,19)9-8-16(12)7-3-6-14(2,11-17)15-13-4-5-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyQPJYULFYZGPALU-UHFFFAOYSA-N
XLogP0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 102887322
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
CID 102887298
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
2-(cyclopropylamino)-2-methyl-6-(2-methylpiperidin-1-yl)hexan-1-ol
CID 64796277
2-methyl-2-(methylamino)-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoic acid
CID 102886124
2-(cyclopropylamino)-2-methyl-5-pyrrolidin-1-ylpentan-1-ol
CID 64798628
methyl 2-amino-2-methyl-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butanoate
CID 102886175
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
2-methyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentan-1-ol
CID 102886657
2-methyl-N-[3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propyl]propan-1-amine
CID 102886819
2-methyl-2-(methylamino)-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol
CID 102887307
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol (CID 102887294) is 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is CC1CS(=O)(=O)CCN1CCCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
The InChIKey is QPJYULFYZGPALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12-10-20(18,19)9-8-16(12)7-3-6-14(2,11-17)15-13-4-5-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol has a molecular weight of 304.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-ol is sourced from PubChem (CID 102887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).