2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine

C15H26N4O2S — CID 72855855

IUPAC2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)[C@@H]1CN(Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H26N4O2S/c1-12(2)14-10-19(9-13-7-5-6-8-16-13)11-15(14)17-22(20,21)18(3)4/h5-8,12,14-15,17H,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyINWNBALKTUVLOY-LSDHHAIUSA-N
MW326.47 g/mol
LogP0.93
Rot. Bonds6

About 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine

2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine (PubChem CID 72855855) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine
PubChem CID72855855
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine
SMILESCC(C)[C@@H]1CN(Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H26N4O2S/c1-12(2)14-10-19(9-13-7-5-6-8-16-13)11-15(14)17-22(20,21)18(3)4/h5-8,12,14-15,17H,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyINWNBALKTUVLOY-LSDHHAIUSA-N
XLogP0.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine (CID 72855855) is 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine is CC(C)[C@@H]1CN(Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine?
The InChIKey is INWNBALKTUVLOY-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)14-10-19(9-13-7-5-6-8-16-13)11-15(14)17-22(20,21)18(3)4/h5-8,12,14-15,17H,9-11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine?
2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine has a molecular weight of 326.47 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 72855855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).