6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide

C12H24N2OS — CID 103063106

IUPAC6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
SMILESCC(C)(CCN)CCC(=O)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2,6-7-13)5-3-11(15)14-10-4-8-16-9-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyKFKHMNJGGXXGQC-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds6

About 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide

6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide (PubChem CID 103063106) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
PubChem CID103063106
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
SMILESCC(C)(CCN)CCC(=O)NC1CCSC1
InChIInChI=1S/C12H24N2OS/c1-12(2,6-7-13)5-3-11(15)14-10-4-8-16-9-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyKFKHMNJGGXXGQC-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide 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

4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
4-(2-aminoethyl)-N-(thiolan-3-yl)heptanamide
CID 103063122
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
CID 81393462
6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
CID 65472003
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
2-fluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 130165186
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide (CID 103063106) is 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide is CC(C)(CCN)CCC(=O)NC1CCSC1.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide?
The InChIKey is KFKHMNJGGXXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2,6-7-13)5-3-11(15)14-10-4-8-16-9-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide?
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide is sourced from PubChem (CID 103063106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).