4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol

C14H27NO2S — CID 110010698

IUPAC4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol
SMILESCC(C)(C)OC1CC(NCC2(O)CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-13(2,3)17-12-8-11(9-12)15-10-14(16)4-6-18-7-5-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyKDNPKMGFEOWNMF-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.18
Rot. Bonds4

About 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol

4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol (PubChem CID 110010698) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol
PubChem CID110010698
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol
SMILESCC(C)(C)OC1CC(NCC2(O)CCSCC2)C1
InChIInChI=1S/C14H27NO2S/c1-13(2,3)17-12-8-11(9-12)15-10-14(16)4-6-18-7-5-14/h11-12,15-16H,4-10H2,1-3H3
InChIKeyKDNPKMGFEOWNMF-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol with MolForge

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Related Compounds

4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
CID 112554599
3-[[(3-methylcyclohexyl)amino]methyl]thiolan-3-ol
CID 115672584
2,3-dimethyl-1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]pentan-2-ol
CID 110010568
[1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]cyclopentyl]methanol
CID 110011599
methane;N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 158877825
4-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methyl]thian-4-ol
CID 75378829
1-[[(3-aminocyclobutyl)amino]methyl]cycloheptan-1-ol
CID 80562089
3-[[(3-ethylcyclohexyl)amino]methyl]thiolan-3-ol
CID 111629673
3-[(2-methylpropan-2-yl)oxy]-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
CID 115972032
N-(2-ethoxypropyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 115972400
2-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]propan-1-ol
CID 110010925

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol?
The IUPAC name of 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol (CID 110010698) is 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol?
The canonical SMILES for 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol is CC(C)(C)OC1CC(NCC2(O)CCSCC2)C1.
What is the InChIKey of 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol?
The InChIKey is KDNPKMGFEOWNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-13(2,3)17-12-8-11(9-12)15-10-14(16)4-6-18-7-5-14/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol?
4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol has a molecular weight of 273.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]thian-4-ol is sourced from PubChem (CID 110010698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).