1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane

C8H17N2O2S- — CID 141056092

IUPAC1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane
SMILESNCC1(CCNS(=O)[O-])CCCC1
InChIInChI=1S/C8H18N2O2S/c9-7-8(3-1-2-4-8)5-6-10-13(11)12/h10H,1-7,9H2,(H,11,12)/p-1
InChIKeySAFBSIYTTRKHJJ-UHFFFAOYSA-M
MW205.30 g/mol
LogP0.28
Rot. Bonds5

About 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane

1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane (PubChem CID 141056092) has the molecular formula C8H17N2O2S- and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane.

Molecular Properties

Compound Name1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane
PubChem CID141056092
Molecular FormulaC8H17N2O2S-
Molecular Weight205.30 g/mol
Exact Mass205.10
IUPAC Name1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane
SMILESNCC1(CCNS(=O)[O-])CCCC1
InChIInChI=1S/C8H18N2O2S/c9-7-8(3-1-2-4-8)5-6-10-13(11)12/h10H,1-7,9H2,(H,11,12)/p-1
InChIKeySAFBSIYTTRKHJJ-UHFFFAOYSA-M
XLogP0.28
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane?
The IUPAC name of 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane (CID 141056092) is 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane.
What is the SMILES notation for 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane?
The canonical SMILES for 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane is NCC1(CCNS(=O)[O-])CCCC1.
What is the InChIKey of 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane?
The InChIKey is SAFBSIYTTRKHJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18N2O2S/c9-7-8(3-1-2-4-8)5-6-10-13(11)12/h10H,1-7,9H2,(H,11,12)/p-1.
What are the key properties of 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane?
1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane has a molecular weight of 205.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane is sourced from PubChem (CID 141056092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).