1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine

C16H30N4O4S — CID 108564837

IUPAC1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N4O4S/c1-16(2,3)20-11-12(10-14(20)21)15(22)19-8-6-13(7-9-19)17-25(23,24)18(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyAIALOHBSICXLFN-UHFFFAOYSA-N
MW374.51 g/mol
LogP0.02
Rot. Bonds4

About 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine

1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine (PubChem CID 108564837) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
PubChem CID108564837
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
SMILESCN(C)S(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H30N4O4S/c1-16(2,3)20-11-12(10-14(20)21)15(22)19-8-6-13(7-9-19)17-25(23,24)18(4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyAIALOHBSICXLFN-UHFFFAOYSA-N
XLogP0.02
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoylamino)-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidine
CID 108564907
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
1-(cyclopentanecarbonyl)-4-(dimethylsulfamoylamino)piperidine
CID 110820008
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-4-oxopentanamide
CID 108558047
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557732
1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108568533
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-tert-butyl-4-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 110092565
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine?
The IUPAC name of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine (CID 108564837) is 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine is CN(C)S(=O)(=O)NC1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine?
The InChIKey is AIALOHBSICXLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c1-16(2,3)20-11-12(10-14(20)21)15(22)19-8-6-13(7-9-19)17-25(23,24)18(4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine?
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine has a molecular weight of 374.51 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 108564837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).