1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane

C8H16NO2S- — CID 91213908

IUPAC1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
SMILESCC1CCC(CN(C)S(=O)[O-])C1
InChIInChI=1S/C8H17NO2S/c1-7-3-4-8(5-7)6-9(2)12(10)11/h7-8H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyOMBNVKJNPCGQFT-UHFFFAOYSA-M
MW190.29 g/mol
LogP1.15
Rot. Bonds3

About 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane

1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane (PubChem CID 91213908) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
PubChem CID91213908
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
SMILESCC1CCC(CN(C)S(=O)[O-])C1
InChIInChI=1S/C8H17NO2S/c1-7-3-4-8(5-7)6-9(2)12(10)11/h7-8H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyOMBNVKJNPCGQFT-UHFFFAOYSA-M
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-N-methylsulfamoyl chloride
CID 63631049
3-Butylpyrrolidine-1-sulfinate
CID 89262397
3-[[Methyl(sulfinato)amino]methyl]heptane
CID 89773732
1-Ethyl-3-[[ethyl(sulfinato)amino]methyl]cyclopentane
CID 90752147
1-Ethyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane
CID 91176264
N-[(3-methylcyclopentyl)methyl]-N-propylthiohydroxylamine
CID 145095599
2-Cyclopentylethyl(propyl)sulfamic acid
CID 174618408
5-Methyl-1-[5-methylhexyl(sulfinato)amino]hexane
CID 175006115
N-(cyclopentylmethyl)-N-methylmethanesulfonamide
CID 62069472
[Methyl(sulfamoyl)amino]methylcyclopentane
CID 62069475
1-Ethyl-3-[[ethyl(sulfino)amino]methyl]cyclopentane
CID 90752148
1-Ethyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
CID 91176265

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
The IUPAC name of 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane (CID 91213908) is 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane.
What is the SMILES notation for 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
The canonical SMILES for 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane is CC1CCC(CN(C)S(=O)[O-])C1.
What is the InChIKey of 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
The InChIKey is OMBNVKJNPCGQFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c1-7-3-4-8(5-7)6-9(2)12(10)11/h7-8H,3-6H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane?
1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane has a molecular weight of 190.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl(sulfinato)amino]methyl]cyclopentane is sourced from PubChem (CID 91213908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).