N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide

C14H22N2O2S — CID 43682540

IUPACN,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1)C1(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11(14(2)9-10-14)15-12-5-7-13(8-6-12)19(17,18)16(3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeySYBUTNCBPOQQDL-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.54
Rot. Bonds5

About N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide

N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide (PubChem CID 43682540) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide
PubChem CID43682540
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1)C1(C)CC1
InChIInChI=1S/C14H22N2O2S/c1-11(14(2)9-10-14)15-12-5-7-13(8-6-12)19(17,18)16(3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKeySYBUTNCBPOQQDL-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106345924
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
4-[(1-chloro-4-methylpentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029603
4-(heptan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 43682515
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
N-[1-(1-methylcyclopropyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811659
4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43780736
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
1-[4-(dimethylsulfamoyl)anilino]cyclobutane-1-carboxylic acid
CID 81165374
4-[[1-(aminomethyl)cyclopentyl]amino]-N,N-dimethylbenzenesulfonamide
CID 63761192

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide (CID 43682540) is N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide is CC(Nc1ccc(S(=O)(=O)N(C)C)cc1)C1(C)CC1.
What is the InChIKey of N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide?
The InChIKey is SYBUTNCBPOQQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(14(2)9-10-14)15-12-5-7-13(8-6-12)19(17,18)16(3)4/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide?
N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43682540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).