1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine

C10H17F3N2O2S — CID 127364965

IUPAC1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(N1CCCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)9-3-7-15(8-4-9)18(16,17)14-5-1-2-6-14/h9H,1-8H2
InChIKeyYHLNBRJWNVWKHZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.60
Rot. Bonds2

About 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine

1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 127364965) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine
PubChem CID127364965
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC Name1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine
SMILESO=S(=O)(N1CCCC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2S/c11-10(12,13)9-3-7-15(8-4-9)18(16,17)14-5-1-2-6-14/h9H,1-8H2
InChIKeyYHLNBRJWNVWKHZ-UHFFFAOYSA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(bromomethylsulfonyl)-3-(trifluoromethyl)pyrrolidine
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1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-piperidin-1-yl-4-(trifluoromethyl)piperidine
CID 149253301
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CID 69400792
1-methylsulfonyl-3-(trifluoromethyl)piperidine
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N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine (CID 127364965) is 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine is O=S(=O)(N1CCCC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is YHLNBRJWNVWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c11-10(12,13)9-3-7-15(8-4-9)18(16,17)14-5-1-2-6-14/h9H,1-8H2.
What are the key properties of 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine?
1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine has a molecular weight of 286.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 127364965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).