2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide

C10H20N2O3S — CID 106187010

IUPAC2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide
SMILESCC(C)=CCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)4-6-12-10(13)9(11)5-7-16(3,14)15/h4,9H,5-7,11H2,1-3H3,(H,12,13)
InChIKeyGGOIEMWZFHQIIH-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.17
Rot. Bonds6

About 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide

2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide (PubChem CID 106187010) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide
PubChem CID106187010
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide
SMILESCC(C)=CCNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)4-6-12-10(13)9(11)5-7-16(3,14)15/h4,9H,5-7,11H2,1-3H3,(H,12,13)
InChIKeyGGOIEMWZFHQIIH-UHFFFAOYSA-N
XLogP-0.17
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide (CID 106187010) is 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide is CC(C)=CCNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide?
The InChIKey is GGOIEMWZFHQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)4-6-12-10(13)9(11)5-7-16(3,14)15/h4,9H,5-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide?
2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide has a molecular weight of 248.35 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylbut-2-enyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 106187010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).