N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide

C10H20N2OS — CID 82905472

IUPACN-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2OS/c1-7(2)8(3)12-10(13)9-6-14-5-4-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLSFWUQZDHZCRAC-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.85
Rot. Bonds3

About N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide

N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide (PubChem CID 82905472) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
PubChem CID82905472
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
SMILESCC(C)C(C)NC(=O)C1CSCCN1
InChIInChI=1S/C10H20N2OS/c1-7(2)8(3)12-10(13)9-6-14-5-4-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyLSFWUQZDHZCRAC-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
CID 130636662
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
CID 82918098
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905786
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
thiomorpholine-3-carbohydrazide
CID 14045872
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
N-(1-methoxybutan-2-yl)thiomorpholine-3-carboxamide
CID 82917888

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide (CID 82905472) is N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide is CC(C)C(C)NC(=O)C1CSCCN1.
What is the InChIKey of N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide?
The InChIKey is LSFWUQZDHZCRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(2)8(3)12-10(13)9-6-14-5-4-11-9/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide?
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).