2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide

C9H20N2O4S — CID 102694855

IUPAC2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
SMILESCOC(C)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-7(15-2)6-11-9(12)8(10)4-5-16(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPGHJERPAHSJQLC-UHFFFAOYSA-N
MW252.34 g/mol
LogP-1.10
Rot. Bonds7

About 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide

2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide (PubChem CID 102694855) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
PubChem CID102694855
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
SMILESCOC(C)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C9H20N2O4S/c1-7(15-2)6-11-9(12)8(10)4-5-16(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyPGHJERPAHSJQLC-UHFFFAOYSA-N
XLogP-1.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119956607
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
CID 66168706
2-amino-N-[2-(3-bromophenoxy)propyl]-4-methylsulfonylbutanamide
CID 119957614
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide (CID 102694855) is 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide is COC(C)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide?
The InChIKey is PGHJERPAHSJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-7(15-2)6-11-9(12)8(10)4-5-16(3,13)14/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide has a molecular weight of 252.34 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 102694855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).