N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride

C9H17ClN2OS2 — CID 130763031

IUPACN-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2SCCS2)CCC1
InChIInChI=1S/C9H16N2OS2.ClH/c10-9(2-1-3-9)6-11-7(12)8-13-4-5-14-8;/h8H,1-6,10H2,(H,11,12);1H
InChIKeyUPHXCJZLLVSXFU-UHFFFAOYSA-N
MW268.83 g/mol
LogP1.21
Rot. Bonds3

About N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride

N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride (PubChem CID 130763031) has the molecular formula C9H17ClN2OS2 and a molecular weight of 268.83 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
PubChem CID130763031
Molecular FormulaC9H17ClN2OS2
Molecular Weight268.83 g/mol
Exact Mass268.05
IUPAC NameN-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride
SMILESCl.NC1(CNC(=O)C2SCCS2)CCC1
InChIInChI=1S/C9H16N2OS2.ClH/c10-9(2-1-3-9)6-11-7(12)8-13-4-5-14-8;/h8H,1-6,10H2,(H,11,12);1H
InChIKeyUPHXCJZLLVSXFU-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride 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

1-amino-N-(thiolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 81169265
1-amino-N-(thiolan-3-yl)cyclobutane-1-carboxamide
CID 103063084
N-[(1-aminocyclobutyl)methyl]-2-methylthiolane-2-carboxamide
CID 103352542
N-[(1-aminocyclobutyl)methyl]thiolane-2-carboxamide
CID 104439606
N-[(1-aminocyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 104439750
N-[(1-aminocyclobutyl)methyl]-2-methylsulfanylacetamide
CID 104439764
N-[(1-aminocyclobutyl)methyl]-2-tert-butylsulfanylacetamide
CID 104439946
N-[(1-aminocyclobutyl)methyl]thiolane-3-carboxamide
CID 104440506
1-amino-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 107296030
2-amino-2-methyl-N-(thiolan-2-ylmethyl)propanamide;hydrochloride
CID 119042392
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119514389
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119643600

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride (CID 130763031) is N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride is Cl.NC1(CNC(=O)C2SCCS2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride?
The InChIKey is UPHXCJZLLVSXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2.ClH/c10-9(2-1-3-9)6-11-7(12)8-13-4-5-14-8;/h8H,1-6,10H2,(H,11,12);1H.
What are the key properties of N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride?
N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-1,3-dithiolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 130763031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).