[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

C15H24N2O3S — CID 120777080

IUPAC[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-13-4-6-14(7-5-13)21(18,19)17-9-8-15(3,10-16)11-17/h4-7,12H,8-11,16H2,1-3H3
InChIKeyZPMHKAWOFQIXFL-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.83
Rot. Bonds5

About [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine

[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 120777080) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID120777080
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-12(2)20-13-4-6-14(7-5-13)21(18,19)17-9-8-15(3,10-16)11-17/h4-7,12H,8-11,16H2,1-3H3
InChIKeyZPMHKAWOFQIXFL-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
[1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777119
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
ethyl 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzoate;hydrochloride
CID 120777681
[1-(3,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777526
[3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777409
[3-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777216
[1-(3-bromo-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777804
N-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N-methylacetamide;hydrochloride
CID 120777447
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 120777080) is [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is CC(C)Oc1ccc(S(=O)(=O)N2CCC(C)(CN)C2)cc1.
What is the InChIKey of [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is ZPMHKAWOFQIXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)20-13-4-6-14(7-5-13)21(18,19)17-9-8-15(3,10-16)11-17/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine?
[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120777080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).