1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine

C15H30N2O2S — CID 103832257

IUPAC1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)CCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)8-11-20(18,19)17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyYTABUVYFMGWXFJ-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.22
Rot. Bonds4

About 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine

1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 103832257) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID103832257
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)(C)CCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C15H30N2O2S/c1-15(2,3)8-11-20(18,19)17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3
InChIKeyYTABUVYFMGWXFJ-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
N-methyl-3-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 114810564
1-tert-butylsulfonyl-4-pyrrolidin-2-ylpiperidine
CID 55232220
1-(2-tert-butylsulfonylethyl)-4-pyrrolidin-2-ylpiperidine
CID 106727944
methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464672
3-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]propanoic acid
CID 104937121
3-chloro-1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine
CID 103521877
6-(2-ethylsulfonylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682496
propan-2-yl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464671
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669
1-methylsulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714170

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine (CID 103832257) is 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine is CC(C)(C)CCS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is YTABUVYFMGWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-15(2,3)8-11-20(18,19)17-10-5-6-13(12-17)14-7-4-9-16-14/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 302.48 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 103832257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).