3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate

C8H16NO2S- — CID 68954804

IUPAC3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate
SMILESCN(CCCS(=O)[O-])CC1CC1
InChIInChI=1S/C8H17NO2S/c1-9(7-8-3-4-8)5-2-6-12(10)11/h8H,2-7H2,1H3,(H,10,11)/p-1
InChIKeyPAXZUBDHJAUQMW-UHFFFAOYSA-M
MW190.29 g/mol
LogP0.60
Rot. Bonds6

About 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate

3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate (PubChem CID 68954804) has the molecular formula C8H16NO2S- and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate
PubChem CID68954804
Molecular FormulaC8H16NO2S-
Molecular Weight190.29 g/mol
Exact Mass190.09
IUPAC Name3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate
SMILESCN(CCCS(=O)[O-])CC1CC1
InChIInChI=1S/C8H17NO2S/c1-9(7-8-3-4-8)5-2-6-12(10)11/h8H,2-7H2,1H3,(H,10,11)/p-1
InChIKeyPAXZUBDHJAUQMW-UHFFFAOYSA-M
XLogP0.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(cyclopropylmethyl)-N-methylbutan-1-amine
CID 61287552
N'-(cyclopropylmethyl)-N'-methylhexane-1,6-diamine
CID 60985774
N-methyl-N-[(4-propan-2-ylcyclohexyl)methyl]butan-1-amine
CID 170005611
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
CID 156687038
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
3-(cyclopropylmethyl)-5-[methyl(propan-2-yl)amino]pentane-1-sulfinate
CID 166686827
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
3-[cyclopropylmethyl(methyl)amino]propanehydrazide
CID 63571724
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
4-cyclohexylbutane-1-sulfinate
CID 57254426

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate (CID 68954804) is 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate is CN(CCCS(=O)[O-])CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate?
The InChIKey is PAXZUBDHJAUQMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO2S/c1-9(7-8-3-4-8)5-2-6-12(10)11/h8H,2-7H2,1H3,(H,10,11)/p-1.
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate?
3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate has a molecular weight of 190.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]propane-1-sulfinate is sourced from PubChem (CID 68954804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).