N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide

C10H21N3O3S — CID 113493476

IUPACN-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CCS(C)=O
InChIInChI=1S/C10H21N3O3S/c1-7(5-6-17(4)16)12-8(2)9(14)13-10(15)11-3/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyWYNYEPGUXUJFJR-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.42
Rot. Bonds6

About N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide

N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide (PubChem CID 113493476) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
PubChem CID113493476
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)CCS(C)=O
InChIInChI=1S/C10H21N3O3S/c1-7(5-6-17(4)16)12-8(2)9(14)13-10(15)11-3/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15)
InChIKeyWYNYEPGUXUJFJR-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(heptan-2-ylamino)-N-(methylcarbamoyl)propanamide
CID 60677131
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
N-(methylcarbamoyl)-2-(pent-4-en-2-ylamino)propanamide
CID 115632114
2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
N-(methylcarbamoyl)-2-(1-piperidin-1-ylpropan-2-ylamino)propanamide
CID 61499941
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631933
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446
2-amino-N-methyl-4-methylsulfinylbutanamide
CID 58684641
N-methyl-4-methylsulfinyl-2-sulfanylbutanamide
CID 139294990
N-(methylcarbamoyl)-2-(pent-1-yn-3-ylamino)propanamide
CID 103577847
N-(methylcarbamoyl)-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 43402025
2-(2-amino-2-methylpropyl)sulfinyl-N-(methylcarbamoyl)propanamide
CID 81189346

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide (CID 113493476) is N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide is CNC(=O)NC(=O)C(C)NC(C)CCS(C)=O.
What is the InChIKey of N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide?
The InChIKey is WYNYEPGUXUJFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-7(5-6-17(4)16)12-8(2)9(14)13-10(15)11-3/h7-8,12H,5-6H2,1-4H3,(H2,11,13,14,15).
What are the key properties of N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide?
N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide has a molecular weight of 263.36 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(4-methylsulfinylbutan-2-ylamino)propanamide is sourced from PubChem (CID 113493476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).