N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide

C12H21N3O2S — CID 112647819

IUPACN-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(N)cc(NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-18(4,16)17/h5-7,14-15H,8,13H2,1-4H3
InChIKeyZXHHNCFLCQLHQI-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.32
Rot. Bonds5

About N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 112647819) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID112647819
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCc1cc(N)cc(NCC(C)(C)NS(C)(=O)=O)c1
InChIInChI=1S/C12H21N3O2S/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-18(4,16)17/h5-7,14-15H,8,13H2,1-4H3
InChIKeyZXHHNCFLCQLHQI-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
CID 66693
N-(2-(Ethyl(3-methyl-4-nitrosophenyl)amino)ethyl)-methanesulfonamide
CID 41694
Cambridge id 5209248
CID 2833381
N-[[1-[[2-(dimethylamino)phenyl]methyl]piperidin-2-yl]methyl]methanesulfonamide
CID 71989095
N-(3-Dibenzylamino-phenyl)-methanesulfonamide
CID 44310359
N-Ethyl-N-(beta-methylsulfonamidoethyl)-m-toluidine
CID 168663
Methanesulfonamide, N-(2-(2-amino-5-(diethylamino)phenyl)ethyl)-, hydrochloride
CID 112753
N-(1,2,3,4-tetrahydroquinolin-5-yl)methanesulfonamide
CID 20115577
N-[4-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 28755678
N-(3-Dibenzylamino-2,5-dimethyl-phenyl)-methanesulfonamide
CID 44310345
2-[3-(1-Aminoethyl)phenyl]-1lambda6,2-thiazolidine-1,1-dione
CID 24688834
N-(2-anilinoethyl)methanesulfonamide
CID 17844791

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide (CID 112647819) is N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide is Cc1cc(N)cc(NCC(C)(C)NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is ZXHHNCFLCQLHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-18(4,16)17/h5-7,14-15H,8,13H2,1-4H3.
What are the key properties of N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 112647819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).