N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide

C10H22N2O3S — CID 79859155

IUPACN-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-9(2)11-6-5-10(13)12(3)7-8-16(4,14)15/h9,11H,5-8H2,1-4H3
InChIKeyBXCHTJOAQMRZGN-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.12
Rot. Bonds7

About N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide

N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide (PubChem CID 79859155) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
PubChem CID79859155
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-9(2)11-6-5-10(13)12(3)7-8-16(4,14)15/h9,11H,5-8H2,1-4H3
InChIKeyBXCHTJOAQMRZGN-UHFFFAOYSA-N
XLogP-0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79859181
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
N-methyl-3-methylsulfonyl-N-propylpropanamide
CID 86865992
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-methyl-N-(3-methylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 60854332
2-(dimethylamino)-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 165447342
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
N-tert-butyl-N-methyl-3-(propan-2-ylamino)propanamide;methane
CID 158948159

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide (CID 79859155) is N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is BXCHTJOAQMRZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)11-6-5-10(13)12(3)7-8-16(4,14)15/h9,11H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide?
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 250.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79859155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).