2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene

C15H27N3O2S — CID 106060187

IUPAC2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H27N3O2S/c1-14(2)16-11-7-13-18(3)21(19,20)17-12-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyVLTNBWWTPJBLLC-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.38
Rot. Bonds10

About 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene

2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene (PubChem CID 106060187) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene.

Molecular Properties

Compound Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
PubChem CID106060187
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H27N3O2S/c1-14(2)16-11-7-13-18(3)21(19,20)17-12-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3
InChIKeyVLTNBWWTPJBLLC-UHFFFAOYSA-N
XLogP1.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106060179
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
2-ethyl-5-[[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]methyl]thiophene
CID 106094609
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144
1-methoxy-3-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]benzene
CID 106087668

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene?
The IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene (CID 106060187) is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene.
What is the SMILES notation for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene?
The canonical SMILES for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene is CC(C)NCCCN(C)S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene?
The InChIKey is VLTNBWWTPJBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-14(2)16-11-7-13-18(3)21(19,20)17-12-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13H2,1-3H3.
What are the key properties of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene?
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene has a molecular weight of 313.47 g/mol, XLogP of 1.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene is sourced from PubChem (CID 106060187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).