N-methyl-3-methylsulfonyl-N-propylpropanamide

C8H17NO3S — CID 86865992

IUPACN-methyl-3-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-4-6-9(2)8(10)5-7-13(3,11)12/h4-7H2,1-3H3
InChIKeyPROXRQIFKTWASV-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.29
Rot. Bonds5

About N-methyl-3-methylsulfonyl-N-propylpropanamide

N-methyl-3-methylsulfonyl-N-propylpropanamide (PubChem CID 86865992) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-propylpropanamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-propylpropanamide
PubChem CID86865992
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-methyl-3-methylsulfonyl-N-propylpropanamide
SMILESCCCN(C)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-4-6-9(2)8(10)5-7-13(3,11)12/h4-7H2,1-3H3
InChIKeyPROXRQIFKTWASV-UHFFFAOYSA-N
XLogP0.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
3-methylsulfonyl-N-piperidin-4-yl-N-propylpropanamide
CID 54895477
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
N-methyl-N-propyl-3-propylsulfanylpropanamide
CID 88902574
2-[hexanoyl(methyl)amino]ethanesulfonate
CID 2179685
CID 172678269
CID 172678269
ethane;N-methyl-9-oxo-N-propylundecanamide
CID 170584314
2-[ethyl(3-methylsulfonylpropanoyl)amino]acetic acid
CID 61021269
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
CID 79864897
sodium 2-[docosanoyl(methyl)amino]ethanesulfonate
CID 101283183
calcium bis(2-[methyl(undecanoyl)amino]ethanesulfonate)
CID 101283161

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-propylpropanamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-propylpropanamide (CID 86865992) is N-methyl-3-methylsulfonyl-N-propylpropanamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-propylpropanamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-propylpropanamide is CCCN(C)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-propylpropanamide?
The InChIKey is PROXRQIFKTWASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-6-9(2)8(10)5-7-13(3,11)12/h4-7H2,1-3H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-propylpropanamide?
N-methyl-3-methylsulfonyl-N-propylpropanamide has a molecular weight of 207.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-propylpropanamide is sourced from PubChem (CID 86865992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).