1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide

C9H22N4O2S — CID 106075520

IUPAC1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H22N4O2S/c1-9(8-10-2)16(14,15)11-13-6-4-12(3)5-7-13/h9-11H,4-8H2,1-3H3
InChIKeyDMJQESHVHMTAKT-UHFFFAOYSA-N
MW250.37 g/mol
LogP-1.32
Rot. Bonds5

About 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide

1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide (PubChem CID 106075520) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide
PubChem CID106075520
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H22N4O2S/c1-9(8-10-2)16(14,15)11-13-6-4-12(3)5-7-13/h9-11H,4-8H2,1-3H3
InChIKeyDMJQESHVHMTAKT-UHFFFAOYSA-N
XLogP-1.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 83026101
1-(cyclopropylamino)-N-piperidin-1-ylpropane-2-sulfonamide
CID 106075218
N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
CID 106074397
N-(3-butoxypropyl)-1-(methylamino)propane-2-sulfonamide
CID 114142112
1-(methylamino)-N-(3-pyrazol-1-ylpropyl)propane-2-sulfonamide
CID 114141939
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
1-(methylamino)-N-(2,3,4,5,6-pentafluorophenyl)propane-2-sulfonamide
CID 106074521
N-(2,2-dimethoxyethyl)-4-methylpiperazin-1-amine
CID 83008976
sodium;hydride;1-(methylamino)propane-2-sulfonic acid
CID 174188529
1-(methylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]propane-2-sulfonamide
CID 106052815

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide (CID 106075520) is 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide?
The InChIKey is DMJQESHVHMTAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-9(8-10-2)16(14,15)11-13-6-4-12(3)5-7-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide?
1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide has a molecular weight of 250.37 g/mol, XLogP of -1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(4-methylpiperazin-1-yl)propane-2-sulfonamide is sourced from PubChem (CID 106075520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).