N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide

C10H23N3O2S — CID 60703057

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2S/c1-3-10-16(14,15)11-4-5-13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3
InChIKeyAKIJUIPLDPPIED-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.44
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide

N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 60703057) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
PubChem CID60703057
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2S/c1-3-10-16(14,15)11-4-5-13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3
InChIKeyAKIJUIPLDPPIED-UHFFFAOYSA-N
XLogP-0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide (CID 60703057) is N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is AKIJUIPLDPPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-3-10-16(14,15)11-4-5-13-8-6-12(2)7-9-13/h11H,3-10H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 60703057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).