2-amino-3-(2-methylsulfonylethylamino)propanamide

C6H15N3O3S — CID 103240264

IUPAC2-amino-3-(2-methylsulfonylethylamino)propanamide
SMILESCS(=O)(=O)CCNCC(N)C(N)=O
InChIInChI=1S/C6H15N3O3S/c1-13(11,12)3-2-9-4-5(7)6(8)10/h5,9H,2-4,7H2,1H3,(H2,8,10)
InChIKeyMLSDMZHGRGVCRL-UHFFFAOYSA-N
MW209.27 g/mol
LogP-2.57
Rot. Bonds6

About 2-amino-3-(2-methylsulfonylethylamino)propanamide

2-amino-3-(2-methylsulfonylethylamino)propanamide (PubChem CID 103240264) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-amino-3-(2-methylsulfonylethylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-methylsulfonylethylamino)propanamide
PubChem CID103240264
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name2-amino-3-(2-methylsulfonylethylamino)propanamide
SMILESCS(=O)(=O)CCNCC(N)C(N)=O
InChIInChI=1S/C6H15N3O3S/c1-13(11,12)3-2-9-4-5(7)6(8)10/h5,9H,2-4,7H2,1H3,(H2,8,10)
InChIKeyMLSDMZHGRGVCRL-UHFFFAOYSA-N
XLogP-2.57
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-2.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 64582441
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CID 103262445
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
CID 106174934
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanamide
CID 103241874
2-methyl-3-(2-methylsulfonylethylamino)propanenitrile
CID 60918811

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylsulfonylethylamino)propanamide?
The IUPAC name of 2-amino-3-(2-methylsulfonylethylamino)propanamide (CID 103240264) is 2-amino-3-(2-methylsulfonylethylamino)propanamide.
What is the SMILES notation for 2-amino-3-(2-methylsulfonylethylamino)propanamide?
The canonical SMILES for 2-amino-3-(2-methylsulfonylethylamino)propanamide is CS(=O)(=O)CCNCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(2-methylsulfonylethylamino)propanamide?
The InChIKey is MLSDMZHGRGVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-13(11,12)3-2-9-4-5(7)6(8)10/h5,9H,2-4,7H2,1H3,(H2,8,10).
What are the key properties of 2-amino-3-(2-methylsulfonylethylamino)propanamide?
2-amino-3-(2-methylsulfonylethylamino)propanamide has a molecular weight of 209.27 g/mol, XLogP of -2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylsulfonylethylamino)propanamide is sourced from PubChem (CID 103240264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).