N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide

C13H26N2OS — CID 63964270

IUPACN-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
SMILESCSCCCNCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-10-6-9-14-11-13(16)15-12-7-4-2-3-5-8-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyAXHYHECTQSAXPR-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.17
Rot. Bonds7

About N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide

N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide (PubChem CID 63964270) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
PubChem CID63964270
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
SMILESCSCCCNCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H26N2OS/c1-17-10-6-9-14-11-13(16)15-12-7-4-2-3-5-8-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyAXHYHECTQSAXPR-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide 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-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N-cyclopentyl-3-methylsulfanylpropanamide
CID 60636725
2-(3-butoxypropylamino)-N-cycloheptylacetamide
CID 115571481
N-cyclohexyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 115518172
N-cyclopentyl-2-(4-hydroxypentylamino)acetamide
CID 106131018
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547
N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 113327343
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
N-cyclopentyl-2-(4-propan-2-yloxybutylamino)acetamide
CID 114136865
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide?
The IUPAC name of N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide (CID 63964270) is N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide is CSCCCNCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide?
The InChIKey is AXHYHECTQSAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-17-10-6-9-14-11-13(16)15-12-7-4-2-3-5-8-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide?
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide has a molecular weight of 258.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide is sourced from PubChem (CID 63964270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).