N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine

C16H29N3O5S — CID 110624051

IUPACN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(CNS(=O)(=O)NC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C16H29N3O5S/c1-11(2)18-25(20,21)17-10-13(19(3)4)12-8-14(22-5)16(24-7)15(9-12)23-6/h8-9,11,13,17-18H,10H2,1-7H3
InChIKeyOVSYYAAIZFIEJM-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.15
Rot. Bonds10

About N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine

N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 110624051) has the molecular formula C16H29N3O5S and a molecular weight of 375.49 g/mol. Its IUPAC name is N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID110624051
Molecular FormulaC16H29N3O5S
Molecular Weight375.49 g/mol
Exact Mass375.18
IUPAC NameN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(CNS(=O)(=O)NC(C)C)N(C)C)cc(OC)c1OC
InChIInChI=1S/C16H29N3O5S/c1-11(2)18-25(20,21)17-10-13(19(3)4)12-8-14(22-5)16(24-7)15(9-12)23-6/h8-9,11,13,17-18H,10H2,1-7H3
InChIKeyOVSYYAAIZFIEJM-UHFFFAOYSA-N
XLogP1.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 112506990
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-methylbutanamide
CID 112506945
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
N-[2-(dimethylamino)-2-(3,4,5-trimethoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110304317
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
CID 35313454
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine (CID 110624051) is N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine is COc1cc(C(CNS(=O)(=O)NC(C)C)N(C)C)cc(OC)c1OC.
What is the InChIKey of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is OVSYYAAIZFIEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5S/c1-11(2)18-25(20,21)17-10-13(19(3)4)12-8-14(22-5)16(24-7)15(9-12)23-6/h8-9,11,13,17-18H,10H2,1-7H3.
What are the key properties of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine?
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 375.49 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 110624051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).