2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide

C10H20F3N3O4S2 — CID 120778630

IUPAC2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H20F3N3O4S2/c1-21(17,18)6-7-22(19,20)15-8-9(10(11,12)13)16-4-2-14-3-5-16/h9,14-15H,2-8H2,1H3
InChIKeyCBOAIMHPXXROQK-UHFFFAOYSA-N
MW367.42 g/mol
LogP-1.21
Rot. Bonds7

About 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide

2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide (PubChem CID 120778630) has the molecular formula C10H20F3N3O4S2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
PubChem CID120778630
Molecular FormulaC10H20F3N3O4S2
Molecular Weight367.42 g/mol
Exact Mass367.08
IUPAC Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H20F3N3O4S2/c1-21(17,18)6-7-22(19,20)15-8-9(10(11,12)13)16-4-2-14-3-5-16/h9,14-15H,2-8H2,1H3
InChIKeyCBOAIMHPXXROQK-UHFFFAOYSA-N
XLogP-1.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120876969
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647
4-fluoro-2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778834
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778396
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
CID 120876964
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778702

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide (CID 120778630) is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
The InChIKey is CBOAIMHPXXROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O4S2/c1-21(17,18)6-7-22(19,20)15-8-9(10(11,12)13)16-4-2-14-3-5-16/h9,14-15H,2-8H2,1H3.
What are the key properties of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide?
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide has a molecular weight of 367.42 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 120778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).