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

C16H26N4O3S — CID 72924148

IUPAC2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine
SMILESCC(C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C16H26N4O3S/c1-12(2)14-10-20(11-15(14)18-24(22,23)19(3)4)16(21)9-13-7-5-6-8-17-13/h5-8,12,14-15,18H,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyUNXFLPFEAHJBSP-LSDHHAIUSA-N
MW354.48 g/mol
LogP0.50
Rot. Bonds6

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

2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine (PubChem CID 72924148) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine.

Molecular Properties

Compound Name2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine
PubChem CID72924148
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine
SMILESCC(C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C16H26N4O3S/c1-12(2)14-10-20(11-15(14)18-24(22,23)19(3)4)16(21)9-13-7-5-6-8-17-13/h5-8,12,14-15,18H,9-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyUNXFLPFEAHJBSP-LSDHHAIUSA-N
XLogP0.50
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine with MolForge

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Related Compounds

(3S,4R)-1-[2-(2-chlorophenyl)acetyl]-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine
CID 72890177
5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-ethylpyrimidine
CID 72892763
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
1-[(3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone
CID 97457942
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 133129853
methyl 4-oxo-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylate
CID 112535945
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine?
The IUPAC name of 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine (CID 72924148) is 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine.
What is the SMILES notation for 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine?
The canonical SMILES for 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine is CC(C)[C@@H]1CN(C(=O)Cc2ccccn2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine?
The InChIKey is UNXFLPFEAHJBSP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12(2)14-10-20(11-15(14)18-24(22,23)19(3)4)16(21)9-13-7-5-6-8-17-13/h5-8,12,14-15,18H,9-11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine?
2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine has a molecular weight of 354.48 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]pyridine is sourced from PubChem (CID 72924148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).