[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine

C11H19N3O2S — CID 115270720

IUPAC[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1(CN)CCCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-11(9-12)5-2-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,13H,2-3,5,7,9,12H2,1H3
InChIKeyDRUODGKOHKRESG-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.91
Rot. Bonds3

About [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine

[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 115270720) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
PubChem CID115270720
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1(CN)CCCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-11(9-12)5-2-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,13H,2-3,5,7,9,12H2,1H3
InChIKeyDRUODGKOHKRESG-UHFFFAOYSA-N
XLogP0.91
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine
CID 115270621
2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-one
CID 115275828
2,2-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 65462346
5,5-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-amine
CID 115275623
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-3-yl)butan-1-one
CID 115270787
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
3-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 55164804
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-one
CID 115276564
3-propyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 55165191
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-sulfonamide
CID 62519994
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine (CID 115270720) is [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine is CC1(CN)CCCCN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is DRUODGKOHKRESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(9-12)5-2-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,13H,2-3,5,7,9,12H2,1H3.
What are the key properties of [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine?
[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).