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

C12H23NO3S — CID 62272219

IUPAC[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CC1(CO)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-13(11-4-7-17(15,16)8-11)9-12(10-14)5-2-3-6-12/h11,14H,2-10H2,1H3
InChIKeyNEQXKJGDUWCPFX-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.66
Rot. Bonds4

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

[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol (PubChem CID 62272219) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol
PubChem CID62272219
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CC1(CO)CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H23NO3S/c1-13(11-4-7-17(15,16)8-11)9-12(10-14)5-2-3-6-12/h11,14H,2-10H2,1H3
InChIKeyNEQXKJGDUWCPFX-UHFFFAOYSA-N
XLogP0.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol (CID 62272219) is [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol is CN(CC1(CO)CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is NEQXKJGDUWCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-13(11-4-7-17(15,16)8-11)9-12(10-14)5-2-3-6-12/h11,14H,2-10H2,1H3.
What are the key properties of [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol?
[1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 261.39 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62272219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).