2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol

C11H23NO2S — CID 106290615

IUPAC2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-6-11(2,13)9-12-10-4-7-15(14)8-5-10/h10,12-13H,3-9H2,1-2H3
InChIKeyOQUHHDNQJCTEGF-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.04
Rot. Bonds5

About 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol

2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol (PubChem CID 106290615) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
PubChem CID106290615
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNC1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-3-6-11(2,13)9-12-10-4-7-15(14)8-5-10/h10,12-13H,3-9H2,1-2H3
InChIKeyOQUHHDNQJCTEGF-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethylaminomethyl)-1,1-dioxothian-4-ol
CID 62773528
1,1-Dioxo-3-[(propan-2-ylamino)methyl]thian-3-ol
CID 64138148
3-(Methylaminomethyl)-1,1-dioxothian-3-ol
CID 64139178
4-[(Propan-2-ylamino)methyl]thian-4-ol
CID 115885182
Ethane;4-(methylaminomethyl)-1-oxothian-4-ol
CID 177955121
1-Oxo-4-[(propan-2-ylamino)methyl]thian-4-ol
CID 177955244
Ethane;3-(methylaminomethyl)-1,1-dioxothian-3-ol
CID 177955329
4-(Ethylaminomethyl)-1-oxothian-4-ol
CID 177955344
Ethane;4-(ethylaminomethyl)-1-oxothian-4-ol
CID 177955369
3-[(Propan-2-ylamino)methyl]thian-3-ol
CID 177955386
S-[[(2R,5R)-5-hydroxy-5-methylpiperidin-2-yl]methyl] ethanethioate
CID 178107461
1-[[(1,1-Dioxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 54937546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol (CID 106290615) is 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol is CCCC(C)(O)CNC1CCS(=O)CC1.
What is the InChIKey of 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol?
The InChIKey is OQUHHDNQJCTEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-6-11(2,13)9-12-10-4-7-15(14)8-5-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol?
2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-oxothian-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).