N-butan-2-yl-N-ethylpiperazine-1-sulfonamide

C10H23N3O2S — CID 43274716

IUPACN-butan-2-yl-N-ethylpiperazine-1-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O2S/c1-4-10(3)13(5-2)16(14,15)12-8-6-11-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyGRQLCZRMKZHGCR-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.26
Rot. Bonds5

About N-butan-2-yl-N-ethylpiperazine-1-sulfonamide

N-butan-2-yl-N-ethylpiperazine-1-sulfonamide (PubChem CID 43274716) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylpiperazine-1-sulfonamide
PubChem CID43274716
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-butan-2-yl-N-ethylpiperazine-1-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H23N3O2S/c1-4-10(3)13(5-2)16(14,15)12-8-6-11-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyGRQLCZRMKZHGCR-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-N-methyl-1-piperazinesulfonamide
CID 16228164
N,N-dimethylpiperazine-1-sulfonamide hydrochloride
CID 22031678
N-ethylpiperazine-1-sulfonamide hydrochloride
CID 154729877
N,N-diethylpiperazine-1-sulfonamide
CID 9167360
(Methylethyl)(piperazinylsulfonyl)amine
CID 28775599
N-(propan-2-yl)piperazine-1-sulfonamide hydrochloride
CID 75481567
(3R)-3-amino-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031274
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031489
N-ethyl-N-methylpiperazine-1-sulfonamide hydrochloride
CID 119961572
2,5-Dimethylpiperazine sulphonamide
CID 69493011
Methylpiperazinesulfonamide
CID 76056968
N,N-dipropylpiperazine-1-sulfonamide
CID 28775662

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylpiperazine-1-sulfonamide?
The IUPAC name of N-butan-2-yl-N-ethylpiperazine-1-sulfonamide (CID 43274716) is N-butan-2-yl-N-ethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethylpiperazine-1-sulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethylpiperazine-1-sulfonamide is CCC(C)N(CC)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-butan-2-yl-N-ethylpiperazine-1-sulfonamide?
The InChIKey is GRQLCZRMKZHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-10(3)13(5-2)16(14,15)12-8-6-11-7-9-12/h10-11H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethylpiperazine-1-sulfonamide?
N-butan-2-yl-N-ethylpiperazine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylpiperazine-1-sulfonamide is sourced from PubChem (CID 43274716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).