N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

C9H21ClN2O2S — CID 119977837

IUPACN-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(CNC)C1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyYWZPNAQJCZRSQJ-UHFFFAOYSA-N
MW256.80 g/mol
LogP0.69
Rot. Bonds5

About N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride

N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (PubChem CID 119977837) has the molecular formula C9H21ClN2O2S and a molecular weight of 256.80 g/mol. Its IUPAC name is N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
PubChem CID119977837
Molecular FormulaC9H21ClN2O2S
Molecular Weight256.80 g/mol
Exact Mass256.10
IUPAC NameN-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
SMILESCCCS(=O)(=O)N1CCC(CNC)C1.Cl
InChIInChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2;/h9-10H,3-8H2,1-2H3;1H
InChIKeyYWZPNAQJCZRSQJ-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.80
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 63264239
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491
N-methyl-1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 119977537
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924
1-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 63248936
N-methyl-1-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977456
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride (CID 119977837) is N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is CCCS(=O)(=O)N1CCC(CNC)C1.Cl.
What is the InChIKey of N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
The InChIKey is YWZPNAQJCZRSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S.ClH/c1-3-6-14(12,13)11-5-4-9(8-11)7-10-2;/h9-10H,3-8H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride?
N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride has a molecular weight of 256.80 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 119977837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).