N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C10H21F3N4O2S — CID 62967362

IUPACN-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H21F3N4O2S/c1-15(4-2-3-14)20(18,19)17-7-5-16(6-8-17)9-10(11,12)13/h2-9,14H2,1H3
InChIKeyMDDUNHKWHVWALC-UHFFFAOYSA-N
MW318.37 g/mol
LogP-0.31
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 62967362) has the molecular formula C10H21F3N4O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID62967362
Molecular FormulaC10H21F3N4O2S
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC NameN-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H21F3N4O2S/c1-15(4-2-3-14)20(18,19)17-7-5-16(6-8-17)9-10(11,12)13/h2-9,14H2,1H3
InChIKeyMDDUNHKWHVWALC-UHFFFAOYSA-N
XLogP-0.31
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
3,3-difluoro-N-[2-(propylamino)ethyl]piperidine-1-sulfonamide
CID 117855268
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241722
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 43251278
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43252302
1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 43443244
1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 43607074
N-ethyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 55010529
N-butyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251787
N-propyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61251788
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252733
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61253719

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 62967362) is N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is MDDUNHKWHVWALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O2S/c1-15(4-2-3-14)20(18,19)17-7-5-16(6-8-17)9-10(11,12)13/h2-9,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 62967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).