2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide

C13H26N2O4S — CID 60946822

IUPAC2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
SMILESCOCCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C1CC1
InChIInChI=1S/C13H26N2O4S/c1-10(11-4-5-11)15(7-8-19-2)13(16)12(14)6-9-20(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyCALVDNYZSWYPJZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.02
Rot. Bonds9

About 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide

2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide (PubChem CID 60946822) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
PubChem CID60946822
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
SMILESCOCCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C1CC1
InChIInChI=1S/C13H26N2O4S/c1-10(11-4-5-11)15(7-8-19-2)13(16)12(14)6-9-20(3,17)18/h10-12H,4-9,14H2,1-3H3
InChIKeyCALVDNYZSWYPJZ-UHFFFAOYSA-N
XLogP0.02
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
CID 60947484
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-amino-N-(1-cyclopropylethyl)-5-methoxy-N-(2-methoxyethyl)benzamide
CID 81092978
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 54872120
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide (CID 60946822) is 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide is COCCN(C(=O)C(N)CCS(C)(=O)=O)C(C)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide?
The InChIKey is CALVDNYZSWYPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-10(11-4-5-11)15(7-8-19-2)13(16)12(14)6-9-20(3,17)18/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide?
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide has a molecular weight of 306.43 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 60946822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).