2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine

C14H34N4O2S — CID 103192352

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H34N4O2S/c1-8-18(14(4)12-16(5)6)21(19,20)17(7)11-9-10-15-13(2)3/h13-15H,8-12H2,1-7H3
InChIKeyLBWQIJOZRHVGOR-UHFFFAOYSA-N
MW322.52 g/mol
LogP0.82
Rot. Bonds11

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine (PubChem CID 103192352) has the molecular formula C14H34N4O2S and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
PubChem CID103192352
Molecular FormulaC14H34N4O2S
Molecular Weight322.52 g/mol
Exact Mass322.24
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine
SMILESCCN(C(C)CN(C)C)S(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H34N4O2S/c1-8-18(14(4)12-16(5)6)21(19,20)17(7)11-9-10-15-13(2)3/h13-15H,8-12H2,1-7H3
InChIKeyLBWQIJOZRHVGOR-UHFFFAOYSA-N
XLogP0.82
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]-methylamino]propan-1-ol
CID 103192205
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)ethanesulfonamide
CID 103189757
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine (CID 103192352) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine is CCN(C(C)CN(C)C)S(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine?
The InChIKey is LBWQIJOZRHVGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O2S/c1-8-18(14(4)12-16(5)6)21(19,20)17(7)11-9-10-15-13(2)3/h13-15H,8-12H2,1-7H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine has a molecular weight of 322.52 g/mol, XLogP of 0.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]propane-1,2-diamine is sourced from PubChem (CID 103192352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).