[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C16H30N2O3S — CID 49048664

IUPAC[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC(C)(C)CC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H30N2O3S/c1-16(2,3)12-14-6-5-9-18(14)15(19)13-7-10-17(11-8-13)22(4,20)21/h13-14H,5-12H2,1-4H3
InChIKeyQUEIWIQRPZAHSH-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.09
Rot. Bonds3

About [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 49048664) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID49048664
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC Name[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCC(C)(C)CC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H30N2O3S/c1-16(2,3)12-14-6-5-9-18(14)15(19)13-7-10-17(11-8-13)22(4,20)21/h13-14H,5-12H2,1-4H3
InChIKeyQUEIWIQRPZAHSH-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 60741388
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
4-(2-ethylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 113005798
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
1-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110886448
cyclobutyl-[4-(1-methylsulfonylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110799325

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 49048664) is [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CC(C)(C)CC1CCCN1C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is QUEIWIQRPZAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-16(2,3)12-14-6-5-9-18(14)15(19)13-7-10-17(11-8-13)22(4,20)21/h13-14H,5-12H2,1-4H3.
What are the key properties of [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 330.49 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 49048664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).