N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide

C13H26N2OS — CID 80528101

IUPACN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3
InChIKeyGCFIVMLDHUNDBZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds6

About N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide

N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (PubChem CID 80528101) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
PubChem CID80528101
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCC1(C)CCCS1
InChIInChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3
InChIKeyGCFIVMLDHUNDBZ-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527849
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
N,N-diethyl-2-[(1-ethylcyclopentyl)methylamino]propanamide
CID 113257443
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
CID 115728225
1-ethyl-1-(2-methylprop-2-enyl)-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97320699
1-ethyl-1-(2-methylprop-2-enyl)-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97320698
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
2-[(2-methylthiolan-2-yl)methylamino]hexanoic acid
CID 103259903
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide (CID 80528101) is N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCC1(C)CCCS1.
What is the InChIKey of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
The InChIKey is GCFIVMLDHUNDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-15(6-2)12(16)11(3)14-10-13(4)8-7-9-17-13/h11,14H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide?
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide has a molecular weight of 258.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide is sourced from PubChem (CID 80528101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).