2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane

C12H30N4O2S — CID 106094290

IUPAC2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
SMILESCCC(C)N(C)CCNS(=O)(=O)N(C)CCCNC
InChIInChI=1S/C12H30N4O2S/c1-6-12(2)15(4)11-9-14-19(17,18)16(5)10-7-8-13-3/h12-14H,6-11H2,1-5H3
InChIKeyWWHHJPKRAUYFMJ-UHFFFAOYSA-N
MW294.47 g/mol
LogP0.09
Rot. Bonds11

About 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane

2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane (PubChem CID 106094290) has the molecular formula C12H30N4O2S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane.

Molecular Properties

Compound Name2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
PubChem CID106094290
Molecular FormulaC12H30N4O2S
Molecular Weight294.47 g/mol
Exact Mass294.21
IUPAC Name2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
SMILESCCC(C)N(C)CCNS(=O)(=O)N(C)CCCNC
InChIInChI=1S/C12H30N4O2S/c1-6-12(2)15(4)11-9-14-19(17,18)16(5)10-7-8-13-3/h12-14H,6-11H2,1-5H3
InChIKeyWWHHJPKRAUYFMJ-UHFFFAOYSA-N
XLogP0.09
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]thiomorpholine
CID 106327431
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-methyl-4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]piperidine
CID 106082659
1-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077188
N,N'-dimethyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667401

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane?
The IUPAC name of 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane (CID 106094290) is 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane.
What is the SMILES notation for 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane?
The canonical SMILES for 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane is CCC(C)N(C)CCNS(=O)(=O)N(C)CCCNC.
What is the InChIKey of 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane?
The InChIKey is WWHHJPKRAUYFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4O2S/c1-6-12(2)15(4)11-9-14-19(17,18)16(5)10-7-8-13-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane?
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane has a molecular weight of 294.47 g/mol, XLogP of 0.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane is sourced from PubChem (CID 106094290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).