2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide

C10H22N2O4S — CID 60947484

IUPAC2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCOCC(C)N(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(7-16-3)12(2)10(13)9(11)5-6-17(4,14)15/h8-9H,5-7,11H2,1-4H3
InChIKeyFGZBULMHRYFLLE-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.76
Rot. Bonds7

About 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide

2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide (PubChem CID 60947484) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
PubChem CID60947484
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCOCC(C)N(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-8(7-16-3)12(2)10(13)9(11)5-6-17(4,14)15/h8-9H,5-7,11H2,1-4H3
InChIKeyFGZBULMHRYFLLE-UHFFFAOYSA-N
XLogP-0.76
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]propanoic acid
CID 62638917
methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
CID 60946822
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-methylsulfonylbutanamide
CID 63690929
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-3-methoxypropanoic acid
CID 81078355
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
2-amino-N-(3-methylpentan-2-yl)-4-methylsulfonylbutanamide
CID 54950405

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide (CID 60947484) is 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide is COCC(C)N(C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is FGZBULMHRYFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(7-16-3)12(2)10(13)9(11)5-6-17(4,14)15/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 266.36 g/mol, XLogP of -0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 60947484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).