1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine

C13H20N2O2S — CID 82026814

IUPAC1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-12(11(2)14)9-13(10)18(16,17)15-7-3-4-8-15/h5-6,9,11H,3-4,7-8,14H2,1-2H3
InChIKeyKZSCCJWZSGFCNP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine

1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine (PubChem CID 82026814) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
PubChem CID82026814
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine
SMILESCc1ccc(C(C)N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-12(11(2)14)9-13(10)18(16,17)15-7-3-4-8-15/h5-6,9,11H,3-4,7-8,14H2,1-2H3
InChIKeyKZSCCJWZSGFCNP-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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cyclopropyl-[4-(2-methyl-5-propan-2-ylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797149
4-methyl-3-piperidin-1-ylsulfonylbenzoate
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N-(1-amino-4-methylpentan-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine?
The IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine (CID 82026814) is 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine?
The canonical SMILES for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine is Cc1ccc(C(C)N)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine?
The InChIKey is KZSCCJWZSGFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-6-12(11(2)14)9-13(10)18(16,17)15-7-3-4-8-15/h5-6,9,11H,3-4,7-8,14H2,1-2H3.
What are the key properties of 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine?
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine has a molecular weight of 268.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)ethanamine is sourced from PubChem (CID 82026814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).