2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine

C13H31N5O2S — CID 106066888

IUPAC2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
SMILESCCNCCCN(C)S(=O)(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H31N5O2S/c1-5-14-7-6-8-18(4)21(19,20)15-11-13-12-16(2)9-10-17(13)3/h13-15H,5-12H2,1-4H3
InChIKeyLEPXMBKVZGALSW-UHFFFAOYSA-N
MW321.49 g/mol
LogP-1.00
Rot. Bonds9

About 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine

2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine (PubChem CID 106066888) has the molecular formula C13H31N5O2S and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
PubChem CID106066888
Molecular FormulaC13H31N5O2S
Molecular Weight321.49 g/mol
Exact Mass321.22
IUPAC Name2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
SMILESCCNCCCN(C)S(=O)(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H31N5O2S/c1-5-14-7-6-8-18(4)21(19,20)15-11-13-12-16(2)9-10-17(13)3/h13-15H,5-12H2,1-4H3
InChIKeyLEPXMBKVZGALSW-UHFFFAOYSA-N
XLogP-1.00
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
CID 106016855
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326353
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine?
The IUPAC name of 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine (CID 106066888) is 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine.
What is the SMILES notation for 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine?
The canonical SMILES for 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine is CCNCCCN(C)S(=O)(=O)NCC1CN(C)CCN1C.
What is the InChIKey of 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine?
The InChIKey is LEPXMBKVZGALSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5O2S/c1-5-14-7-6-8-18(4)21(19,20)15-11-13-12-16(2)9-10-17(13)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine?
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine has a molecular weight of 321.49 g/mol, XLogP of -1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine is sourced from PubChem (CID 106066888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).