4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine

C12H23F2N3O2S — CID 167049362

IUPAC4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine
SMILESNS(=O)(=O)N(CC1CCC(F)(F)CC1)C1CCNCC1
InChIInChI=1S/C12H23F2N3O2S/c13-12(14)5-1-10(2-6-12)9-17(20(15,18)19)11-3-7-16-8-4-11/h10-11,16H,1-9H2,(H2,15,18,19)
InChIKeyNTZQRTARQSYJNY-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.07
Rot. Bonds4

About 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine

4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine (PubChem CID 167049362) has the molecular formula C12H23F2N3O2S and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine
PubChem CID167049362
Molecular FormulaC12H23F2N3O2S
Molecular Weight311.40 g/mol
Exact Mass311.15
IUPAC Name4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine
SMILESNS(=O)(=O)N(CC1CCC(F)(F)CC1)C1CCNCC1
InChIInChI=1S/C12H23F2N3O2S/c13-12(14)5-1-10(2-6-12)9-17(20(15,18)19)11-3-7-16-8-4-11/h10-11,16H,1-9H2,(H2,15,18,19)
InChIKeyNTZQRTARQSYJNY-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine?
The IUPAC name of 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine (CID 167049362) is 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine.
What is the SMILES notation for 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine?
The canonical SMILES for 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine is NS(=O)(=O)N(CC1CCC(F)(F)CC1)C1CCNCC1.
What is the InChIKey of 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine?
The InChIKey is NTZQRTARQSYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3O2S/c13-12(14)5-1-10(2-6-12)9-17(20(15,18)19)11-3-7-16-8-4-11/h10-11,16H,1-9H2,(H2,15,18,19).
What are the key properties of 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine?
4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine has a molecular weight of 311.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexyl)methyl-sulfamoylamino]piperidine is sourced from PubChem (CID 167049362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).