N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide

C14H26F3N3O3S — CID 164640709

IUPACN-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyOIZANIKUBZCYMF-NSHDSACASA-N
MW373.44 g/mol
LogP1.14
Rot. Bonds6

About N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide

N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 164640709) has the molecular formula C14H26F3N3O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
PubChem CID164640709
Molecular FormulaC14H26F3N3O3S
Molecular Weight373.44 g/mol
Exact Mass373.16
IUPAC NameN-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyOIZANIKUBZCYMF-NSHDSACASA-N
XLogP1.14
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide with MolForge

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Related Compounds

N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71896149
4-(3-Fluoropropylsulfonyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 71976651
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 46199858
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3-difluorobutan-1-one
CID 68170403
1-[4-(3,3,3-Trifluoropropylsulfonyl)piperazin-1-yl]propan-1-one
CID 126758826
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 49070003
[4-(2,2-Difluoroethyl)piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 49070529
(1-Butylsulfonylpyrrolidin-2-yl)-[4-(2,2-difluoroethyl)piperazin-1-yl]methanone
CID 49093145
N,N-diethyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60302717
N-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 60306487
N-ethyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306489

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide (CID 164640709) is N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is OIZANIKUBZCYMF-NSHDSACASA-N. The full InChI is InChI=1S/C14H26F3N3O3S/c1-5-24(22,23)19(4)12-6-8-20(9-7-12)13(21)11(2)18(3)10-14(15,16)17/h11-12H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide?
N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 164640709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).