(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide

C12H27N3O2S — CID 170769991

IUPAC(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)N(C)C)CCC(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)7-9-18(14,17)8-6-10(13)11(16)15(4)5/h10,14H,6-9,13H2,1-5H3/t10-,18?/m0/s1
InChIKeyVMYFNGZWQZFEJH-APDXDRDNSA-N
MW277.43 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide

(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide (PubChem CID 170769991) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide
PubChem CID170769991
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)N(C)C)CCC(C)(C)C
InChIInChI=1S/C12H27N3O2S/c1-12(2,3)7-9-18(14,17)8-6-10(13)11(16)15(4)5/h10,14H,6-9,13H2,1-5H3/t10-,18?/m0/s1
InChIKeyVMYFNGZWQZFEJH-APDXDRDNSA-N
XLogP1.27
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide (CID 170769991) is (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide is [H]N=S(=O)(CC[C@H](N)C(=O)N(C)C)CCC(C)(C)C.
What is the InChIKey of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide?
The InChIKey is VMYFNGZWQZFEJH-APDXDRDNSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2,3)7-9-18(14,17)8-6-10(13)11(16)15(4)5/h10,14H,6-9,13H2,1-5H3/t10-,18?/m0/s1.
What are the key properties of (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide?
(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide has a molecular weight of 277.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N,N-dimethylbutanamide is sourced from PubChem (CID 170769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).