2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C9H18F3N3O3S — CID 114809666

IUPAC2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O3S/c1-14(2)4-7-3-8(16)5-15(7)19(17,18)13-6-9(10,11)12/h7-8,13,16H,3-6H2,1-2H3
InChIKeyGUMFZCBWFIFCQH-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.62
Rot. Bonds5

About 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809666) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809666
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O3S/c1-14(2)4-7-3-8(16)5-15(7)19(17,18)13-6-9(10,11)12/h7-8,13,16H,3-6H2,1-2H3
InChIKeyGUMFZCBWFIFCQH-UHFFFAOYSA-N
XLogP-0.62
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104977931
5-[(dimethylamino)methyl]-1-(2,2-dimethylpropylsulfonyl)pyrrolidin-3-ol
CID 66052398
1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052985
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 66053371
1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054631
5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
CID 66052984
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]sulfonylbutanoic acid
CID 66054216
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053365
5-[(dimethylamino)methyl]-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
CID 79593792
5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
CID 66053947
3-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 102776359

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809666) is 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is CN(C)CC1CC(O)CN1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is GUMFZCBWFIFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-14(2)4-7-3-8(16)5-15(7)19(17,18)13-6-9(10,11)12/h7-8,13,16H,3-6H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).