2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide

C10H23N3O3S — CID 113288255

IUPAC2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-5-7-13-17(4,15)16/h8,13H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyQEOIPCVBJOGFIM-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.58
Rot. Bonds6

About 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide

2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide (PubChem CID 113288255) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
PubChem CID113288255
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCCCNS(C)(=O)=O
InChIInChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-5-7-13-17(4,15)16/h8,13H,5-7,11H2,1-4H3,(H,12,14)
InChIKeyQEOIPCVBJOGFIM-UHFFFAOYSA-N
XLogP-0.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide (CID 113288255) is 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCCCNS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide?
The InChIKey is QEOIPCVBJOGFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10(2,3)8(11)9(14)12-6-5-7-13-17(4,15)16/h8,13H,5-7,11H2,1-4H3,(H,12,14).
What are the key properties of 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide?
2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide has a molecular weight of 265.38 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methanesulfonamido)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 113288255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).