N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H22F3N3O2S — CID 61455500

IUPACN-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)N(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-9(2)16(3)20(18,19)17(8-11(12,13)14)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3
InChIKeyHGLAIHWSVIVLIZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.19
Rot. Bonds5

About N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 61455500) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID61455500
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC NameN-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)N(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-9(2)16(3)20(18,19)17(8-11(12,13)14)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3
InChIKeyHGLAIHWSVIVLIZ-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Trifluoromethanesulfonylpiperidin-4-amine
CID 43556400
Methyl[(piperidin-4-yl)sulfamoyl]amine hydrochloride
CID 91643355
((Piperidin-4-yl)sulfamoyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 75481816
N-(2,2-difluoroethyl)-1-methanesulfonylpiperidin-4-amine hydrochloride
CID 91654571
4-(Diethylsulfamoylamino)-1-propylpiperidine
CID 53529219
N-(2,2-Difluoroethyl)-1-methanesulfonylpiperidin-4-amine
CID 60921764
4-[[(2S)-3-methylbutan-2-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 97820897
N-(4-Piperidinyl)trifluoromethanesulfonamide
CID 11117910
4-Amino-n,n-dimethylpiperidine-1-sulfonamide
CID 28787699
1,1,1-trifluoro-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 54471694
1,1,1-trifluoro-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 58960895
N-methyl-1-(trifluoromethylsulfonyl)piperidin-4-amine
CID 70821116

Frequently Asked Questions

What is the IUPAC name of N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 61455500) is N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)N(C)S(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HGLAIHWSVIVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-9(2)16(3)20(18,19)17(8-11(12,13)14)10-4-6-15-7-5-10/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 317.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(propan-2-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 61455500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).