N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide

C13H28N2OS — CID 91058141

IUPACN-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide
SMILESCCSCC(C)C(=O)NC(C)CCCN(C)C
InChIInChI=1S/C13H28N2OS/c1-6-17-10-11(2)13(16)14-12(3)8-7-9-15(4)5/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyFNBUAZJGRCACJT-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.22
Rot. Bonds9

About N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide

N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide (PubChem CID 91058141) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide
PubChem CID91058141
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide
SMILESCCSCC(C)C(=O)NC(C)CCCN(C)C
InChIInChI=1S/C13H28N2OS/c1-6-17-10-11(2)13(16)14-12(3)8-7-9-15(4)5/h11-12H,6-10H2,1-5H3,(H,14,16)
InChIKeyFNBUAZJGRCACJT-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide?
The IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide (CID 91058141) is N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide.
What is the SMILES notation for N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide?
The canonical SMILES for N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide is CCSCC(C)C(=O)NC(C)CCCN(C)C.
What is the InChIKey of N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide?
The InChIKey is FNBUAZJGRCACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-17-10-11(2)13(16)14-12(3)8-7-9-15(4)5/h11-12H,6-10H2,1-5H3,(H,14,16).
What are the key properties of N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide?
N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide has a molecular weight of 260.45 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentan-2-yl]-3-ethylsulfanyl-2-methylpropanamide is sourced from PubChem (CID 91058141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).