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

C10H23N3O2S — CID 21302878

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2)16(14,15)11-4-5-13-8-6-12(3)7-9-13/h10-11H,4-9H2,1-3H3
InChIKeyRXXLTVCUJGWWFQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.44
Rot. Bonds5

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

N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide (PubChem CID 21302878) 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-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide
PubChem CID21302878
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2)16(14,15)11-4-5-13-8-6-12(3)7-9-13/h10-11H,4-9H2,1-3H3
InChIKeyRXXLTVCUJGWWFQ-UHFFFAOYSA-N
XLogP-0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-2-sulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide (CID 21302878) is N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide?
The InChIKey is RXXLTVCUJGWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2)16(14,15)11-4-5-13-8-6-12(3)7-9-13/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-2-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.44, 5 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-2-sulfonamide is sourced from PubChem (CID 21302878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).