2-(sulfinoamino)ethoxycarbonylcyclopentane

C8H15NO4S — CID 146769599

IUPAC2-(sulfinoamino)ethoxycarbonylcyclopentane
SMILESO=C(OCCNS(=O)O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c10-8(7-3-1-2-4-7)13-6-5-9-14(11)12/h7,9H,1-6H2,(H,11,12)
InChIKeyJZNGOSCKFMNRSQ-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.45
Rot. Bonds5

About 2-(sulfinoamino)ethoxycarbonylcyclopentane

2-(sulfinoamino)ethoxycarbonylcyclopentane (PubChem CID 146769599) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(sulfinoamino)ethoxycarbonylcyclopentane.

Molecular Properties

Compound Name2-(sulfinoamino)ethoxycarbonylcyclopentane
PubChem CID146769599
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name2-(sulfinoamino)ethoxycarbonylcyclopentane
SMILESO=C(OCCNS(=O)O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c10-8(7-3-1-2-4-7)13-6-5-9-14(11)12/h7,9H,1-6H2,(H,11,12)
InChIKeyJZNGOSCKFMNRSQ-UHFFFAOYSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-trifluoroethylamino)ethyl cycloheptanecarboxylate
CID 67966979
3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
3-bromopropyl cyclopentanecarboxylate
CID 10776091
2-fluoroethyl cyclobutanecarboxylate
CID 45090053
2-[2-(butylamino)ethoxy]ethyl cyclohexanecarboxylate
CID 82532258
2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397
nonyl cyclopentanecarboxylate
CID 575427
2-[(4-chlorophenyl)methylamino]ethyl cyclobutanecarboxylate
CID 82533475
2-propoxyethyl cyclohexanecarboxylate
CID 66700127

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)ethoxycarbonylcyclopentane?
The IUPAC name of 2-(sulfinoamino)ethoxycarbonylcyclopentane (CID 146769599) is 2-(sulfinoamino)ethoxycarbonylcyclopentane.
What is the SMILES notation for 2-(sulfinoamino)ethoxycarbonylcyclopentane?
The canonical SMILES for 2-(sulfinoamino)ethoxycarbonylcyclopentane is O=C(OCCNS(=O)O)C1CCCC1.
What is the InChIKey of 2-(sulfinoamino)ethoxycarbonylcyclopentane?
The InChIKey is JZNGOSCKFMNRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8(7-3-1-2-4-7)13-6-5-9-14(11)12/h7,9H,1-6H2,(H,11,12).
What are the key properties of 2-(sulfinoamino)ethoxycarbonylcyclopentane?
2-(sulfinoamino)ethoxycarbonylcyclopentane has a molecular weight of 221.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)ethoxycarbonylcyclopentane is sourced from PubChem (CID 146769599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).