tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate

C15H25N3O4S — CID 104932785

IUPACtert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4S/c1-10-6-7-12(16)11(2)13(10)23(20,21)18-9-8-17-14(19)22-15(3,4)5/h6-7,18H,8-9,16H2,1-5H3,(H,17,19)
InChIKeyAKVXAEZFSUZCID-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.69
Rot. Bonds5

About tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate

tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate (PubChem CID 104932785) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
PubChem CID104932785
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Nametert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4S/c1-10-6-7-12(16)11(2)13(10)23(20,21)18-9-8-17-14(19)22-15(3,4)5/h6-7,18H,8-9,16H2,1-5H3,(H,17,19)
InChIKeyAKVXAEZFSUZCID-UHFFFAOYSA-N
XLogP1.69
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
tert-butyl N-[2-[(5-amino-2,4-difluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932750
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
tert-butyl N-[2-[(2-amino-4-cyanophenyl)sulfonylamino]ethyl]carbamate
CID 104932801
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2,6-dimethylbenzenesulfonamide
CID 106165818
tert-butyl N-[2-(sulfamoylamino)ethyl]carbamate
CID 86657941
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
2-[(3-amino-2,5,6-trimethylphenyl)sulfonylamino]ethylurea
CID 106505300
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate (CID 104932785) is tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate is Cc1ccc(N)c(C)c1S(=O)(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate?
The InChIKey is AKVXAEZFSUZCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-10-6-7-12(16)11(2)13(10)23(20,21)18-9-8-17-14(19)22-15(3,4)5/h6-7,18H,8-9,16H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate?
tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate has a molecular weight of 343.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-amino-2,6-dimethylphenyl)sulfonylamino]ethyl]carbamate is sourced from PubChem (CID 104932785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).