[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine

C16H26N2O2S — CID 62061807

IUPAC[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCC(CN)C2)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-7-6-15(8-17)9-18/h15H,6-9,17H2,1-5H3
InChIKeySELSPPIZNRQKQX-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.20
Rot. Bonds3

About [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 62061807) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID62061807
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCC(CN)C2)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-7-6-15(8-17)9-18/h15H,6-9,17H2,1-5H3
InChIKeySELSPPIZNRQKQX-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81423390
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
[1-(2-fluoro-6-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708491
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
[1-(4-bromo-2,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971817
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]methanamine;hydrochloride
CID 119998465
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[1-(2-bromo-4,6-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62063051
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 62064992
[(3R)-1-(2-ethyl-5-methylpyrazol-3-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 125440989

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 62061807) is [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine is Cc1c(C)c(C)c(S(=O)(=O)N2CCC(CN)C2)c(C)c1C.
What is the InChIKey of [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is SELSPPIZNRQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-11(2)13(4)16(14(5)12(10)3)21(19,20)18-7-6-15(8-17)9-18/h15H,6-9,17H2,1-5H3.
What are the key properties of [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62061807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).