N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride

C7H18ClN3O2S — CID 119961572

IUPACN-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCCN(C)S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C7H17N3O2S.ClH/c1-3-9(2)13(11,12)10-6-4-8-5-7-10;/h8H,3-7H2,1-2H3;1H
InChIKeyVLYFRAWDHPCIGB-UHFFFAOYSA-N
MW243.76 g/mol
LogP-0.49
Rot. Bonds3

About N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride

N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride (PubChem CID 119961572) has the molecular formula C7H18ClN3O2S and a molecular weight of 243.76 g/mol. Its IUPAC name is N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride
PubChem CID119961572
Molecular FormulaC7H18ClN3O2S
Molecular Weight243.76 g/mol
Exact Mass243.08
IUPAC NameN-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCCN(C)S(=O)(=O)N1CCNCC1.Cl
InChIInChI=1S/C7H17N3O2S.ClH/c1-3-9(2)13(11,12)10-6-4-8-5-7-10;/h8H,3-7H2,1-2H3;1H
InChIKeyVLYFRAWDHPCIGB-UHFFFAOYSA-N
XLogP-0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylpiperazine-1-sulfonamide
CID 1094966
1-Methanesulfonylpiperazine hydrochloride
CID 16265612
1-Piperazinesulfonamide
CID 11252198
N,N-dimethylpiperazine-1-sulfonamide hydrochloride
CID 22031678
Piperazine-1-sulfonamide hydrochloride
CID 67467256
N-ethylpiperazine-1-sulfonamide hydrochloride
CID 154729877
4-(Methylsulfonyl)piperazin-1-ium chloride
CID 68731830
N,N-diethylpiperazine-1-sulfonamide
CID 9167360
(Methylethyl)(piperazinylsulfonyl)amine
CID 28775599
N-(propan-2-yl)piperazine-1-sulfonamide hydrochloride
CID 75481567
Piperazine-1-sulfonyl fluoride hydrochloride
CID 138987571
Piperazinesulfonic acid
CID 21903592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The IUPAC name of N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride (CID 119961572) is N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride is CCN(C)S(=O)(=O)N1CCNCC1.Cl.
What is the InChIKey of N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The InChIKey is VLYFRAWDHPCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S.ClH/c1-3-9(2)13(11,12)10-6-4-8-5-7-10;/h8H,3-7H2,1-2H3;1H.
What are the key properties of N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylpiperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 119961572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).