N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide

C10H23N3O4S2 — CID 64643816

IUPACN-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O4S2/c1-10(9-18(2,14)15)12-19(16,17)8-7-13-5-3-11-4-6-13/h10-12H,3-9H2,1-2H3
InChIKeyZQLMCPJDVBVEKX-UHFFFAOYSA-N
MW313.45 g/mol
LogP-1.76
Rot. Bonds7

About N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide

N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide (PubChem CID 64643816) has the molecular formula C10H23N3O4S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
PubChem CID64643816
Molecular FormulaC10H23N3O4S2
Molecular Weight313.45 g/mol
Exact Mass313.11
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C10H23N3O4S2/c1-10(9-18(2,14)15)12-19(16,17)8-7-13-5-3-11-4-6-13/h10-12H,3-9H2,1-2H3
InChIKeyZQLMCPJDVBVEKX-UHFFFAOYSA-N
XLogP-1.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylethanesulfonamide
CID 65048551
N-octan-4-yl-2-piperazin-1-ylethanesulfonamide
CID 106027308
2-piperazin-1-yl-N-(2,2,3,3-tetramethylcyclopropyl)ethanesulfonamide
CID 79351202
2-piperazin-1-yl-N-(2,3,3-trimethylbutyl)ethanesulfonamide
CID 83144360
2-piperazin-1-ylethanesulfonamide
CID 54595802
N-(3-methoxycyclobutyl)-2-piperazin-1-ylethanesulfonamide
CID 114120032
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-hydroxyethyl 2-piperazin-1-ylethanesulfonate
CID 87469546
2-piperazin-1-ylethanesulfonamide;hydrochloride
CID 86611202
dihydroxy-methyl-(2-piperazin-1-ylethyl)-λ4-sulfane
CID 145139146
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide (CID 64643816) is N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide?
The InChIKey is ZQLMCPJDVBVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O4S2/c1-10(9-18(2,14)15)12-19(16,17)8-7-13-5-3-11-4-6-13/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide?
N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide has a molecular weight of 313.45 g/mol, XLogP of -1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 64643816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).