1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine

C10H22N2O2S — CID 63264016

IUPAC1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCCS(=O)(=O)N1CCC(CNC)C1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2/h10-11H,3-9H2,1-2H3
InChIKeyGLVVZHUDYLXROX-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.66
Rot. Bonds6

About 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine

1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 63264016) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID63264016
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCCCCS(=O)(=O)N1CCC(CNC)C1
InChIInChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2/h10-11H,3-9H2,1-2H3
InChIKeyGLVVZHUDYLXROX-UHFFFAOYSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977837
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine (CID 63264016) is 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine is CCCCS(=O)(=O)N1CCC(CNC)C1.
What is the InChIKey of 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is GLVVZHUDYLXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-4-7-15(13,14)12-6-5-10(9-12)8-11-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine?
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 234.36 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 63264016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).