2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine

C11H19N3O2S — CID 115276116

IUPAC2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine
SMILESCC1(C)CC(N)CCN1S(=O)(=O)c1ccc[nH]1
InChIInChI=1S/C11H19N3O2S/c1-11(2)8-9(12)5-7-14(11)17(15,16)10-4-3-6-13-10/h3-4,6,9,13H,5,7-8,12H2,1-2H3
InChIKeyFTFDWSIZAPUBMN-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.91
Rot. Bonds2

About 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine

2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine (PubChem CID 115276116) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine
PubChem CID115276116
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine
SMILESCC1(C)CC(N)CCN1S(=O)(=O)c1ccc[nH]1
InChIInChI=1S/C11H19N3O2S/c1-11(2)8-9(12)5-7-14(11)17(15,16)10-4-3-6-13-10/h3-4,6,9,13H,5,7-8,12H2,1-2H3
InChIKeyFTFDWSIZAPUBMN-UHFFFAOYSA-N
XLogP0.91
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine (CID 115276116) is 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine is CC1(C)CC(N)CCN1S(=O)(=O)c1ccc[nH]1.
What is the InChIKey of 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine?
The InChIKey is FTFDWSIZAPUBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2)8-9(12)5-7-14(11)17(15,16)10-4-3-6-13-10/h3-4,6,9,13H,5,7-8,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine?
2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1H-pyrrol-2-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 115276116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).