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

C11H22N2OS — CID 115305764

IUPACN-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-3-11(12,4-2)8-13-10(14)9-5-6-15-7-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyZTKILMCBULBVAI-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.37
Rot. Bonds5

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

N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide (PubChem CID 115305764) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
PubChem CID115305764
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-3-11(12,4-2)8-13-10(14)9-5-6-15-7-9/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyZTKILMCBULBVAI-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)thiane-4-carboxamide
CID 119643378
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N-(2,3-dihydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 66170496
N-(4-bromo-2,2-dimethylbutyl)thiolane-3-carboxamide
CID 106143446
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
CID 114826466
N-(2-methylpropyl)thiolane-3-carboxamide
CID 64592330
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
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CID 119640656

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide (CID 115305764) is N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide is CCC(N)(CC)CNC(=O)C1CCSC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide?
The InChIKey is ZTKILMCBULBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-11(12,4-2)8-13-10(14)9-5-6-15-7-9/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide?
N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide is sourced from PubChem (CID 115305764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).