[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol

C15H30N2O3S — CID 79566538

IUPAC[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O3S/c1-3-16-15(12-18)8-4-5-13(15)6-9-17(2)14-7-10-21(19,20)11-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCXAZKCZDBDLCRL-UHFFFAOYSA-N
MW318.48 g/mol
LogP0.64
Rot. Bonds7

About [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol

[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79566538) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol
PubChem CID79566538
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H30N2O3S/c1-3-16-15(12-18)8-4-5-13(15)6-9-17(2)14-7-10-21(19,20)11-14/h13-14,16,18H,3-12H2,1-2H3
InChIKeyCXAZKCZDBDLCRL-UHFFFAOYSA-N
XLogP0.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(ethylamino)-2-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethyl]cyclopentyl]methanol
CID 102887341
[2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79567645
[2-[2-[methyl(oxan-4-yl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79568301
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571170
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
[1-(ethylamino)-2-[2-[methyl(oxan-2-ylmethyl)amino]ethyl]cyclopentyl]methanol
CID 79566945
[2-[2-[ethyl(methyl)amino]ethyl]-1-(propylamino)cyclopentyl]methanol
CID 79571443
[1-(ethylamino)-2-[2-(2-methoxyethoxy)ethyl]cyclopentyl]methanol
CID 79581609
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[1-(cyclopropylamino)-2-[2-[methyl(oxan-4-yl)amino]ethyl]cyclopentyl]methanol
CID 79568172
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol (CID 79566538) is [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is CXAZKCZDBDLCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-16-15(12-18)8-4-5-13(15)6-9-17(2)14-7-10-21(19,20)11-14/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol?
[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 318.48 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79566538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).