3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide

C15H27N3O2S — CID 43256310

IUPAC3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-11(2)18(12(3)4)7-6-17-21(19,20)15-9-13(5)8-14(16)10-15/h8-12,17H,6-7,16H2,1-5H3
InChIKeyIEDXAVCTKZTNFT-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.97
Rot. Bonds7

About 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide

3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide (PubChem CID 43256310) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
PubChem CID43256310
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-11(2)18(12(3)4)7-6-17-21(19,20)15-9-13(5)8-14(16)10-15/h8-12,17H,6-7,16H2,1-5H3
InChIKeyIEDXAVCTKZTNFT-UHFFFAOYSA-N
XLogP1.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823042
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824969
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide (CID 43256310) is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCN(C(C)C)C(C)C)c1.
What is the InChIKey of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide?
The InChIKey is IEDXAVCTKZTNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-11(2)18(12(3)4)7-6-17-21(19,20)15-9-13(5)8-14(16)10-15/h8-12,17H,6-7,16H2,1-5H3.
What are the key properties of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide?
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 43256310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).