N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide

C14H22N2O2S — CID 3426667

IUPACN-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide
SMILESC/C(=N\c1cccc(N(C)S(C)(=O)=O)c1)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-11(14(2,3)4)15-12-8-7-9-13(10-12)16(5)19(6,17)18/h7-10H,1-6H3/b15-11+
InChIKeyDTPBQRFKOSOMQK-RVDMUPIBSA-N
MW282.41 g/mol
LogP3.22
Rot. Bonds3

About N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide

N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide (PubChem CID 3426667) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide
PubChem CID3426667
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide
SMILESC/C(=N\c1cccc(N(C)S(C)(=O)=O)c1)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-11(14(2,3)4)15-12-8-7-9-13(10-12)16(5)19(6,17)18/h7-10H,1-6H3/b15-11+
InChIKeyDTPBQRFKOSOMQK-RVDMUPIBSA-N
XLogP3.22
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide (CID 3426667) is N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide is C/C(=N\c1cccc(N(C)S(C)(=O)=O)c1)C(C)(C)C.
What is the InChIKey of N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide?
The InChIKey is DTPBQRFKOSOMQK-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(14(2,3)4)15-12-8-7-9-13(10-12)16(5)19(6,17)18/h7-10H,1-6H3/b15-11+.
What are the key properties of N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide?
N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylbutan-2-ylideneamino)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 3426667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).