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

C11H19N3O2S — CID 115270621

IUPACN-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESCNCC1(C)CCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-11(9-12-2)5-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3
InChIKeyLETLIYFJYNUVBY-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.78
Rot. Bonds4

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

N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine (PubChem CID 115270621) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine
PubChem CID115270621
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine
SMILESCNCC1(C)CCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-11(9-12-2)5-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3
InChIKeyLETLIYFJYNUVBY-UHFFFAOYSA-N
XLogP0.78
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine (CID 115270621) is N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine is CNCC1(C)CCCN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine?
The InChIKey is LETLIYFJYNUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(9-12-2)5-3-7-14(11)17(15,16)10-4-6-13-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115270621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).