N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide

C12H26N2O3S — CID 113135927

IUPACN-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCCN(C)C(=O)CCN(CCC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-5-7-10-13(3)12(15)8-11-14(9-6-2)18(4,16)17/h5-11H2,1-4H3
InChIKeyQEOPNOSAYZLOQB-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.31
Rot. Bonds9

About N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide

N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113135927) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113135927
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCCN(C)C(=O)CCN(CCC)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-5-7-10-13(3)12(15)8-11-14(9-6-2)18(4,16)17/h5-11H2,1-4H3
InChIKeyQEOPNOSAYZLOQB-UHFFFAOYSA-N
XLogP1.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide (CID 113135927) is N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide is CCCCN(C)C(=O)CCN(CCC)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is QEOPNOSAYZLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-5-7-10-13(3)12(15)8-11-14(9-6-2)18(4,16)17/h5-11H2,1-4H3.
What are the key properties of N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide?
N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide has a molecular weight of 278.42 g/mol, XLogP of 1.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).