1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane

C10H21NO2S — CID 90752148

IUPAC1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(CC)S(=O)O)C1
InChIInChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyNYITURTYPGATLM-UHFFFAOYSA-N
MW219.35 g/mol
LogP2.27
Rot. Bonds5

About 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane

1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane (PubChem CID 90752148) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane
PubChem CID90752148
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane
SMILESCCC1CCC(CN(CC)S(=O)O)C1
InChIInChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyNYITURTYPGATLM-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-Ethylhexyl(sulfino)amino]methyl]heptane
CID 18451674
1-Ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
CID 90752147
1-Ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
CID 91176264
1-Methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
CID 91213908
2-Cyclopentylethyl(propyl)sulfamic acid
CID 174618408
3-Butylpyrrolidine-1-sulfinic acid
CID 89262398
3-[[Methyl(sulfino)amino]methyl]heptane
CID 89773733
4-[[2-Propylheptyl(sulfino)amino]methyl]nonane
CID 91000163
1-[3,7-Dimethyloctyl(sulfino)amino]-3,7-dimethyloctane
CID 91025574
1-Ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
CID 91176265
1-Methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
CID 91213909
6-Methyl-1-[6-methylheptyl(sulfino)amino]heptane
CID 175005972

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane?
The IUPAC name of 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane (CID 90752148) is 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane.
What is the SMILES notation for 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane?
The canonical SMILES for 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane is CCC1CCC(CN(CC)S(=O)O)C1.
What is the InChIKey of 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane?
The InChIKey is NYITURTYPGATLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-9-5-6-10(7-9)8-11(4-2)14(12)13/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane?
1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane has a molecular weight of 219.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane is sourced from PubChem (CID 90752148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).