N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide

C11H24N2OS — CID 115639005

IUPACN,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CSC
InChIInChI=1S/C11H24N2OS/c1-6-13(7-2)11(14)10(4)12-9(3)8-15-5/h9-10,12H,6-8H2,1-5H3
InChIKeyVVBHBGUAAKCONA-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.58
Rot. Bonds7

About N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide

N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide (PubChem CID 115639005) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
PubChem CID115639005
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide
SMILESCCN(CC)C(=O)C(C)NC(C)CSC
InChIInChI=1S/C11H24N2OS/c1-6-13(7-2)11(14)10(4)12-9(3)8-15-5/h9-10,12H,6-8H2,1-5H3
InChIKeyVVBHBGUAAKCONA-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
N,N-diethyl-2-(pentan-2-ylamino)propanamide
CID 43113164
N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
CID 116534471
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
N,N-diethyl-2-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 62996918
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
N,N-diethyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 65049413
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
CID 66219204

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide?
The IUPAC name of N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide (CID 115639005) is N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide?
The canonical SMILES for N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide is CCN(CC)C(=O)C(C)NC(C)CSC.
What is the InChIKey of N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide?
The InChIKey is VVBHBGUAAKCONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-13(7-2)11(14)10(4)12-9(3)8-15-5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide?
N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide has a molecular weight of 232.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methylsulfanylpropan-2-ylamino)propanamide is sourced from PubChem (CID 115639005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).