2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine

C8H16F3N3O2S — CID 114807420

IUPAC2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCC1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7-1-3-12-4-2-7/h7,12-14H,1-6H2
InChIKeyNDCBUDBQBBEFBZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.03
Rot. Bonds5

About 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine

2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine (PubChem CID 114807420) has the molecular formula C8H16F3N3O2S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine
PubChem CID114807420
Molecular FormulaC8H16F3N3O2S
Molecular Weight275.30 g/mol
Exact Mass275.09
IUPAC Name2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine
SMILESO=S(=O)(NCC1CCNCC1)NCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7-1-3-12-4-2-7/h7,12-14H,1-6H2
InChIKeyNDCBUDBQBBEFBZ-UHFFFAOYSA-N
XLogP-0.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,2,2-trifluoroethylsulfamoyl)pyrrolidin-3-amine
CID 104978131
4-[(sulfamoylamino)methyl]piperidine
CID 24703134
4,4,4-trifluoro-N-(pyrrolidin-3-ylmethyl)butane-1-sulfonamide
CID 83060140
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
2-methylsulfonyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 63245223
3-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]pyrrolidine
CID 80563123
2,2-difluoro-3-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 106170327
4,4,4-trifluoro-N-(piperidin-3-ylmethyl)butane-1-sulfonamide;hydrochloride
CID 120874709
N-[(4-methylcyclohexyl)methyl]piperidine-4-sulfonamide
CID 63244711
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
methyl 2-(2,2,2-trifluoroethylsulfamoylamino)acetate
CID 114811439

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine (CID 114807420) is 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine is O=S(=O)(NCC1CCNCC1)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine?
The InChIKey is NDCBUDBQBBEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2S/c9-8(10,11)6-14-17(15,16)13-5-7-1-3-12-4-2-7/h7,12-14H,1-6H2.
What are the key properties of 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine?
2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine has a molecular weight of 275.30 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(piperidin-4-ylmethylsulfamoyl)ethanamine is sourced from PubChem (CID 114807420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).