N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide

C9H14N4OS — CID 82916761

IUPACN-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CSCCN1
InChIInChI=1S/C9H14N4OS/c14-9(7-6-15-4-3-10-7)13-5-8-11-1-2-12-8/h1-2,7,10H,3-6H2,(H,11,12)(H,13,14)
InChIKeyFHNADSXWMVKZOJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.27
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide (PubChem CID 82916761) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
PubChem CID82916761
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
SMILESO=C(NCc1ncc[nH]1)C1CSCCN1
InChIInChI=1S/C9H14N4OS/c14-9(7-6-15-4-3-10-7)13-5-8-11-1-2-12-8/h1-2,7,10H,3-6H2,(H,11,12)(H,13,14)
InChIKeyFHNADSXWMVKZOJ-UHFFFAOYSA-N
XLogP-0.27
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028
N-(1H-imidazol-2-ylmethyl)thiolane-2-carboxamide
CID 64531828
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-(1H-imidazol-2-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978844
N-[(3-bromothiophen-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82916985
N-[[4-(dimethylamino)phenyl]methyl]thiomorpholine-3-carboxamide
CID 82909258
2-(1H-imidazol-2-ylmethylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391069

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide (CID 82916761) is N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide is O=C(NCc1ncc[nH]1)C1CSCCN1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide?
The InChIKey is FHNADSXWMVKZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-9(7-6-15-4-3-10-7)13-5-8-11-1-2-12-8/h1-2,7,10H,3-6H2,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).