N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride

C10H25Cl2N3O2S — CID 119966256

IUPACN-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
SMILESCCCCS(=O)(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H23N3O2S.2ClH/c1-2-3-10-16(14,15)12-6-9-13-7-4-11-5-8-13;;/h11-12H,2-10H2,1H3;2*1H
InChIKeyJKBFAPZUMNPZLV-UHFFFAOYSA-N
MW322.30 g/mol
LogP0.45
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride

N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride (PubChem CID 119966256) has the molecular formula C10H25Cl2N3O2S and a molecular weight of 322.30 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
PubChem CID119966256
Molecular FormulaC10H25Cl2N3O2S
Molecular Weight322.30 g/mol
Exact Mass321.10
IUPAC NameN-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
SMILESCCCCS(=O)(=O)NCCN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H23N3O2S.2ClH/c1-2-3-10-16(14,15)12-6-9-13-7-4-11-5-8-13;;/h11-12H,2-10H2,1H3;2*1H
InChIKeyJKBFAPZUMNPZLV-UHFFFAOYSA-N
XLogP0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride (CID 119966256) is N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride is CCCCS(=O)(=O)NCCN1CCNCC1.Cl.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride?
The InChIKey is JKBFAPZUMNPZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.2ClH/c1-2-3-10-16(14,15)12-6-9-13-7-4-11-5-8-13;;/h11-12H,2-10H2,1H3;2*1H.
What are the key properties of N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride?
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride has a molecular weight of 322.30 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 119966256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).