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

C15H24N2O3S — CID 103541321

IUPACN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(S(=O)(=O)N2CCC(OC)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-8-16-11-13-5-4-6-15(10-13)21(18,19)17-9-7-14(12-17)20-2/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3
InChIKeyFXTZNQDWOVWQIO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.60
Rot. Bonds7

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

N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine (PubChem CID 103541321) 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-1-amine.

Molecular Properties

Compound NameN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
PubChem CID103541321
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(S(=O)(=O)N2CCC(OC)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-8-16-11-13-5-4-6-15(10-13)21(18,19)17-9-7-14(12-17)20-2/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3
InChIKeyFXTZNQDWOVWQIO-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103535331
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-2-amine
CID 103541326
N-[[4-(3-methoxypyrrolidin-1-yl)sulfonyl-1-methylpyrrol-2-yl]methyl]propan-1-amine
CID 103541482
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-[2-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 103541366
N-ethyl-4-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538318
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
2-ethyl-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531318
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106075384
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine (CID 103541321) is N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine is CCCNCc1cccc(S(=O)(=O)N2CCC(OC)C2)c1.
What is the InChIKey of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine?
The InChIKey is FXTZNQDWOVWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-8-16-11-13-5-4-6-15(10-13)21(18,19)17-9-7-14(12-17)20-2/h4-6,10,14,16H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine?
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine has a molecular weight of 312.44 g/mol, XLogP of 1.60, 7 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-1-amine is sourced from PubChem (CID 103541321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).