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

C14H28N2O3S — CID 79571237

IUPAC[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O3S/c1-15-14(11-17)7-3-4-12(14)5-8-16(2)13-6-9-20(18,19)10-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyIIMSTDCWFBKTJA-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.25
Rot. Bonds6

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

[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79571237) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79571237
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O3S/c1-15-14(11-17)7-3-4-12(14)5-8-16(2)13-6-9-20(18,19)10-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyIIMSTDCWFBKTJA-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol (CID 79571237) is [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is IIMSTDCWFBKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-15-14(11-17)7-3-4-12(14)5-8-16(2)13-6-9-20(18,19)10-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 304.46 g/mol, XLogP of 0.25, 6 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-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).