N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine

C11H21N3O2S2 — CID 110621531

IUPACN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)NS(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C11H21N3O2S2/c1-9(2)13-18(15,16)12-8-10(14(3)4)11-6-5-7-17-11/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeyHIWPYJSOIQCPHL-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.18
Rot. Bonds7

About N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine

N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 110621531) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID110621531
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(C)NS(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C11H21N3O2S2/c1-9(2)13-18(15,16)12-8-10(14(3)4)11-6-5-7-17-11/h5-7,9-10,12-13H,8H2,1-4H3
InChIKeyHIWPYJSOIQCPHL-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112503228
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
CID 112503236
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
CID 112503232
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573
5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine (CID 110621531) is N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine is CC(C)NS(=O)(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is HIWPYJSOIQCPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-9(2)13-18(15,16)12-8-10(14(3)4)11-6-5-7-17-11/h5-7,9-10,12-13H,8H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 291.44 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 110621531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).