6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide

C13H26N2O3S — CID 81039232

IUPAC6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-2-11(7-8-14)5-6-13(16)15-10-12-4-3-9-19(12,17)18/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyAMEHCASSWZXVSQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.83
Rot. Bonds8

About 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide

6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide (PubChem CID 81039232) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide
PubChem CID81039232
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide
SMILESCCC(CCN)CCC(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-2-11(7-8-14)5-6-13(16)15-10-12-4-3-9-19(12,17)18/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyAMEHCASSWZXVSQ-UHFFFAOYSA-N
XLogP0.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81038798
(2S)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]butanamide
CID 81039235
ethyl N-[(1,1-dioxothiolan-2-yl)methyl]carbamate
CID 81046471
6-amino-N-[(1R)-1-cyclopentylethyl]-4-ethylhexanamide
CID 81390852
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
CID 97053070
6-amino-4-ethyl-N-(2-hydroxypentyl)hexanamide
CID 113495822
6-amino-4-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]hexanamide
CID 113313291
1-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-3-[(2S)-5-methylhexan-2-yl]urea
CID 97080784
N-butan-2-yl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
CID 81040634
2-[1-[[(6-amino-4-ethylhexanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81162248
(2R)-2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-3,3-dimethylbutanamide
CID 103930251
6-amino-4-ethyl-N-[(1-hydroxy-3-methylcyclohexyl)methyl]hexanamide
CID 65120096

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide?
The IUPAC name of 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide (CID 81039232) is 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide.
What is the SMILES notation for 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide?
The canonical SMILES for 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide is CCC(CCN)CCC(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide?
The InChIKey is AMEHCASSWZXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-11(7-8-14)5-6-13(16)15-10-12-4-3-9-19(12,17)18/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide?
6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide has a molecular weight of 290.43 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide is sourced from PubChem (CID 81039232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).