2-(thiolan-3-ylmethylamino)butanamide

C9H18N2OS — CID 107295791

IUPAC2-(thiolan-3-ylmethylamino)butanamide
SMILESCCC(NCC1CCSC1)C(N)=O
InChIInChI=1S/C9H18N2OS/c1-2-8(9(10)12)11-5-7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyJMVOISQEENWALP-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.59
Rot. Bonds5

About 2-(thiolan-3-ylmethylamino)butanamide

2-(thiolan-3-ylmethylamino)butanamide (PubChem CID 107295791) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-(thiolan-3-ylmethylamino)butanamide.

Molecular Properties

Compound Name2-(thiolan-3-ylmethylamino)butanamide
PubChem CID107295791
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-(thiolan-3-ylmethylamino)butanamide
SMILESCCC(NCC1CCSC1)C(N)=O
InChIInChI=1S/C9H18N2OS/c1-2-8(9(10)12)11-5-7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyJMVOISQEENWALP-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(thiolan-3-ylmethylamino)butanamide 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

2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403
2-[(4-ethylcyclohexyl)methylamino]butanamide
CID 62901748
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
2-[(3-hydroxycyclopentyl)methylamino]butanamide
CID 106129414
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
4-methyl-N-(thiolan-3-ylmethyl)hexan-2-amine
CID 107132179
2-(cyclopropylmethylamino)-2-(thiolan-3-yl)acetamide
CID 107132959
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-(thian-4-ylmethylamino)hexanoate
CID 103868467

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-3-ylmethylamino)butanamide?
The IUPAC name of 2-(thiolan-3-ylmethylamino)butanamide (CID 107295791) is 2-(thiolan-3-ylmethylamino)butanamide.
What is the SMILES notation for 2-(thiolan-3-ylmethylamino)butanamide?
The canonical SMILES for 2-(thiolan-3-ylmethylamino)butanamide is CCC(NCC1CCSC1)C(N)=O.
What is the InChIKey of 2-(thiolan-3-ylmethylamino)butanamide?
The InChIKey is JMVOISQEENWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-2-8(9(10)12)11-5-7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(thiolan-3-ylmethylamino)butanamide?
2-(thiolan-3-ylmethylamino)butanamide has a molecular weight of 202.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-3-ylmethylamino)butanamide is sourced from PubChem (CID 107295791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).