N-(2-amino-2-ethylbutyl)thiane-4-carboxamide

C12H24N2OS — CID 119643378

IUPACN-(2-amino-2-ethylbutyl)thiane-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-12(13,4-2)9-14-11(15)10-5-7-16-8-6-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyDZFKOEMPUGIAIY-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)thiane-4-carboxamide

N-(2-amino-2-ethylbutyl)thiane-4-carboxamide (PubChem CID 119643378) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)thiane-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)thiane-4-carboxamide
PubChem CID119643378
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(2-amino-2-ethylbutyl)thiane-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)C1CCSCC1
InChIInChI=1S/C12H24N2OS/c1-3-12(13,4-2)9-14-11(15)10-5-7-16-8-6-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyDZFKOEMPUGIAIY-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)thiolane-3-carboxamide
CID 115305764
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide
CID 81484905
N-(2-amino-2-ethylbutyl)cycloheptanecarboxamide;hydrochloride
CID 119643055
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
CID 114826466
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(2-amino-2-ethylbutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81484556
N-(2-amino-2-ethylbutyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119643117
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)thiane-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)thiane-4-carboxamide (CID 119643378) is N-(2-amino-2-ethylbutyl)thiane-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)thiane-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)thiane-4-carboxamide is CCC(N)(CC)CNC(=O)C1CCSCC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)thiane-4-carboxamide?
The InChIKey is DZFKOEMPUGIAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-12(13,4-2)9-14-11(15)10-5-7-16-8-6-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)thiane-4-carboxamide?
N-(2-amino-2-ethylbutyl)thiane-4-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 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)thiane-4-carboxamide is sourced from PubChem (CID 119643378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).