2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine

C15H25N3O2S — CID 114599572

IUPAC2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN1c1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)17-11-12-7-6-10-18(12)14-13(21(4,19)20)8-5-9-16-14/h5,8-9,12,17H,6-7,10-11H2,1-4H3
InChIKeyIGNUALHGWROVLU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.84
Rot. Bonds4

About 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine

2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 114599572) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID114599572
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCN1c1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)17-11-12-7-6-10-18(12)14-13(21(4,19)20)8-5-9-16-14/h5,8-9,12,17H,6-7,10-11H2,1-4H3
InChIKeyIGNUALHGWROVLU-UHFFFAOYSA-N
XLogP1.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3-methylsulfonyl-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 114599597
3-[2-[(tert-butylamino)methyl]pyrrolidin-1-yl]-1H-pyrazin-2-one
CID 114571269
2-methyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methyl]propan-2-amine
CID 104733642
3-(bromomethyl)-4-(3-methylsulfonyl-2-pyridinyl)morpholine
CID 114600138
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
CID 114598203
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 114599572) is 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCCN1c1ncccc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is IGNUALHGWROVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)17-11-12-7-6-10-18(12)14-13(21(4,19)20)8-5-9-16-14/h5,8-9,12,17H,6-7,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114599572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).