N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide

C9H18N2O2S — CID 64542327

IUPACN-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
SMILESCC(O)C(N)CNC(=O)C1CCSC1
InChIInChI=1S/C9H18N2O2S/c1-6(12)8(10)4-11-9(13)7-2-3-14-5-7/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyZVPXWFIPXVFBST-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.44
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide

N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide (PubChem CID 64542327) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
PubChem CID64542327
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
SMILESCC(O)C(N)CNC(=O)C1CCSC1
InChIInChI=1S/C9H18N2O2S/c1-6(12)8(10)4-11-9(13)7-2-3-14-5-7/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyZVPXWFIPXVFBST-UHFFFAOYSA-N
XLogP-0.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide 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-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-amino-3-hydroxybutyl)-5-methyloxolane-3-carboxamide
CID 114826417
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2,2-difluoroethyl)thiane-3-carboxamide
CID 130678335
N-(4-hydroxybutan-2-yl)thiolane-3-carboxamide
CID 115283671
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
N-(1-bromo-3-methylbutan-2-yl)thiolane-3-carboxamide
CID 114316118
N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 66170496

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide (CID 64542327) is N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide is CC(O)C(N)CNC(=O)C1CCSC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide?
The InChIKey is ZVPXWFIPXVFBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-6(12)8(10)4-11-9(13)7-2-3-14-5-7/h6-8,12H,2-5,10H2,1H3,(H,11,13).
What are the key properties of N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide?
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide is sourced from PubChem (CID 64542327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).