4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol

C16H31NOS — CID 55094815

IUPAC4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1O)C1CCSC1
InChIInChI=1S/C16H31NOS/c1-16(2,3)13-5-6-15(18)12(9-13)10-17(4)14-7-8-19-11-14/h12-15,18H,5-11H2,1-4H3
InChIKeyQYWVKTIRBGRQKS-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.25
Rot. Bonds3

About 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 55094815) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID55094815
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1O)C1CCSC1
InChIInChI=1S/C16H31NOS/c1-16(2,3)13-5-6-15(18)12(9-13)10-17(4)14-7-8-19-11-14/h12-15,18H,5-11H2,1-4H3
InChIKeyQYWVKTIRBGRQKS-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol (CID 55094815) is 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is CN(CC1CC(C(C)(C)C)CCC1O)C1CCSC1.
What is the InChIKey of 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QYWVKTIRBGRQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-16(2,3)13-5-6-15(18)12(9-13)10-17(4)14-7-8-19-11-14/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 285.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl(thiolan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 55094815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).