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

C13H26N2O3S — CID 79571309

IUPAC[1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-15(12-5-8-19(17,18)9-12)7-4-11-3-2-6-13(11,14)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyUNCOWFMCMUBZBJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP-0.01
Rot. Bonds5

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

[1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol (PubChem CID 79571309) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol
PubChem CID79571309
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol
SMILESCN(CCC1CCCC1(N)CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O3S/c1-15(12-5-8-19(17,18)9-12)7-4-11-3-2-6-13(11,14)10-16/h11-12,16H,2-10,14H2,1H3
InChIKeyUNCOWFMCMUBZBJ-UHFFFAOYSA-N
XLogP-0.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol?
The IUPAC name of [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol (CID 79571309) is [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol is CN(CCC1CCCC1(N)CO)C1CCS(=O)(=O)C1.
What is the InChIKey of [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol?
The InChIKey is UNCOWFMCMUBZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-15(12-5-8-19(17,18)9-12)7-4-11-3-2-6-13(11,14)10-16/h11-12,16H,2-10,14H2,1H3.
What are the key properties of [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol?
[1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol has a molecular weight of 290.43 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79571309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).