N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide

C13H23N3O2S2 — CID 2317333

IUPACN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,11-16-8-6-15(3)7-9-16)14-20(17,18)12-5-4-10-19-12/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyUGICWVMILOHRPJ-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.05
Rot. Bonds5

About N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide

N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 2317333) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID2317333
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,11-16-8-6-15(3)7-9-16)14-20(17,18)12-5-4-10-19-12/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyUGICWVMILOHRPJ-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide (CID 2317333) is N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide is CN1CCN(CC(C)(C)NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is UGICWVMILOHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-13(2,11-16-8-6-15(3)7-9-16)14-20(17,18)12-5-4-10-19-12/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide?
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 317.48 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2317333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).