2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide

C13H21N3O2S — CID 134416349

IUPAC2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide
SMILESCNc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C13H21N3O2S/c1-9(2)7-12(14)13(17)16-19(18)11-6-4-5-10(8-11)15-3/h4-6,8-9,12,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyNEEXGCQGKABWQS-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.24
Rot. Bonds6

About 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide

2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide (PubChem CID 134416349) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide
PubChem CID134416349
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide
SMILESCNc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C13H21N3O2S/c1-9(2)7-12(14)13(17)16-19(18)11-6-4-5-10(8-11)15-3/h4-6,8-9,12,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyNEEXGCQGKABWQS-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide?
The IUPAC name of 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide (CID 134416349) is 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide?
The canonical SMILES for 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide is CNc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1.
What is the InChIKey of 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide?
The InChIKey is NEEXGCQGKABWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)7-12(14)13(17)16-19(18)11-6-4-5-10(8-11)15-3/h4-6,8-9,12,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide?
2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide has a molecular weight of 283.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[3-(methylamino)phenyl]sulfinylpentanamide is sourced from PubChem (CID 134416349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).