4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine

C14H26N2O2S — CID 91921442

IUPAC4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCN(CC3CC3)C2)CC1
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-8-5-13(6-9-16)14-4-7-15(11-14)10-12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyIBGMZDOZGALERM-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.39
Rot. Bonds4

About 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine

4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine (PubChem CID 91921442) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine
PubChem CID91921442
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCN(CC3CC3)C2)CC1
InChIInChI=1S/C14H26N2O2S/c1-19(17,18)16-8-5-13(6-9-16)14-4-7-15(11-14)10-12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyIBGMZDOZGALERM-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonyl-4-(pyrrolidin-3-YL)piperidine
CID 90488137
(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine
CID 57246870
4-(1-Methylcyclopropyl)-1-methylsulfonylpiperidine
CID 58054117
1-Methylsulfonyl-3-propan-2-ylpiperidine
CID 58841022
1-Tert-butyl-3-tert-butylsulfonyl-3-azabicyclo[3.1.0]hexane
CID 59783489
3-Ethyl-4-methyl-1-methylsulfonylpiperidine
CID 68350320
3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylpropan-1-amine
CID 90939359
2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-N,N-dimethylethanamine
CID 91591648
(3S,4S)-3-ethyl-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 117878092
3,4-Diethyl-1-methylsulfonylpiperidine
CID 117883392
(3S,4R)-3-ethyl-4-methyl-1-methylsulfonylpiperidine
CID 117883407
3-Ethyl-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 117969292

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine (CID 91921442) is 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(C2CCN(CC3CC3)C2)CC1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine?
The InChIKey is IBGMZDOZGALERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-19(17,18)16-8-5-13(6-9-16)14-4-7-15(11-14)10-12-2-3-12/h12-14H,2-11H2,1H3.
What are the key properties of 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine?
4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine has a molecular weight of 286.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 91921442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).