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

C8H17NO2S — CID 91213909

IUPAC1-methyl-3-[[methyl(sulfino)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)
InChIKeyOMBNVKJNPCGQFT-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.49
Rot. Bonds3

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

1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane (PubChem CID 91213909) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane.

Molecular Properties

Compound Name1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane
PubChem CID91213909
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-methyl-3-[[methyl(sulfino)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)
InChIKeyOMBNVKJNPCGQFT-UHFFFAOYSA-N
XLogP1.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The IUPAC name of 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane (CID 91213909) is 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane.
What is the SMILES notation for 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The canonical SMILES for 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane is CC1CCC(CN(C)S(=O)O)C1.
What is the InChIKey of 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
The InChIKey is OMBNVKJNPCGQFT-UHFFFAOYSA-N. 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).
What are the key properties of 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane?
1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane has a molecular weight of 191.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[methyl(sulfino)amino]methyl]cyclopentane is sourced from PubChem (CID 91213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).