3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide

C13H28N2O3S — CID 113135931

IUPAC3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(CCC)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-5-9-14(10-6-2)13(16)8-12-15(11-7-3)19(4,17)18/h5-12H2,1-4H3
InChIKeyFCZKYKKAPLDXCI-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.70
Rot. Bonds10

About 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide

3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide (PubChem CID 113135931) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
PubChem CID113135931
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(CCC)S(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-5-9-14(10-6-2)13(16)8-12-15(11-7-3)19(4,17)18/h5-12H2,1-4H3
InChIKeyFCZKYKKAPLDXCI-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
3-[butyl(methyl)amino]-N,N-dipropylpropanamide
CID 109032448
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
N,N-dipropylnonadecanamide
CID 12960009
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145294
4-amino-N,N-dipropylbutanamide
CID 12835718
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide?
The IUPAC name of 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide (CID 113135931) is 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(CCC)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide?
The InChIKey is FCZKYKKAPLDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-5-9-14(10-6-2)13(16)8-12-15(11-7-3)19(4,17)18/h5-12H2,1-4H3.
What are the key properties of 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide?
3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide has a molecular weight of 292.44 g/mol, XLogP of 1.70, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(propyl)amino]-N,N-dipropylpropanamide is sourced from PubChem (CID 113135931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).