N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine

C15H24N2O3S — CID 103541326

IUPACN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
SMILESCOC1CCN(S(=O)(=O)c2cccc(CNC(C)C)c2)C1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-4-6-15(9-13)21(18,19)17-8-7-14(11-17)20-3/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3
InChIKeyYWBQUUCZNPGXEG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.59
Rot. Bonds6

About N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine

N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine (PubChem CID 103541326) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
PubChem CID103541326
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
SMILESCOC1CCN(S(=O)(=O)c2cccc(CNC(C)C)c2)C1
InChIInChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-4-6-15(9-13)21(18,19)17-8-7-14(11-17)20-3/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3
InChIKeyYWBQUUCZNPGXEG-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103541321
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-[2-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541366
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
2-methoxy-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531339
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
3-[3-(3-methoxypiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 102964098

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine (CID 103541326) is N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine is COC1CCN(S(=O)(=O)c2cccc(CNC(C)C)c2)C1.
What is the InChIKey of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
The InChIKey is YWBQUUCZNPGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)16-10-13-5-4-6-15(9-13)21(18,19)17-8-7-14(11-17)20-3/h4-6,9,12,14,16H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine?
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine has a molecular weight of 312.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 103541326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).