[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol

C15H28N2O3S — CID 79635378

IUPAC[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol
SMILESCN(C1CCCC(CO)(NC2CC2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O3S/c1-17(14-6-8-21(19,20)10-14)13-3-2-7-15(9-13,11-18)16-12-4-5-12/h12-14,16,18H,2-11H2,1H3
InChIKeyFXJBMCCFUVOZOC-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.53
Rot. Bonds5

About [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol

[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol (PubChem CID 79635378) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol
PubChem CID79635378
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol
SMILESCN(C1CCCC(CO)(NC2CC2)C1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H28N2O3S/c1-17(14-6-8-21(19,20)10-14)13-3-2-7-15(9-13,11-18)16-12-4-5-12/h12-14,16,18H,2-11H2,1H3
InChIKeyFXJBMCCFUVOZOC-UHFFFAOYSA-N
XLogP0.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol (CID 79635378) is [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol is CN(C1CCCC(CO)(NC2CC2)C1)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol?
The InChIKey is FXJBMCCFUVOZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-17(14-6-8-21(19,20)10-14)13-3-2-7-15(9-13,11-18)16-12-4-5-12/h12-14,16,18H,2-11H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol?
[1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol has a molecular weight of 316.47 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol is sourced from PubChem (CID 79635378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).