N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide

C11H18N4OS — CID 94122810

IUPACN-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCSCC1
InChIInChI=1S/C11H18N4OS/c1-10(8-14-3-2-12-9-14)13-11(16)15-4-6-17-7-5-15/h2-3,9-10H,4-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyIDCFQERKHLAVST-JTQLQIEISA-N
MW254.36 g/mol
LogP1.03
Rot. Bonds3

About N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide

N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide (PubChem CID 94122810) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
PubChem CID94122810
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)N1CCSCC1
InChIInChI=1S/C11H18N4OS/c1-10(8-14-3-2-12-9-14)13-11(16)15-4-6-17-7-5-15/h2-3,9-10H,4-8H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyIDCFQERKHLAVST-JTQLQIEISA-N
XLogP1.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95152739
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 94122765
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide (CID 94122810) is N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide is C[C@@H](Cn1ccnc1)NC(=O)N1CCSCC1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide?
The InChIKey is IDCFQERKHLAVST-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N4OS/c1-10(8-14-3-2-12-9-14)13-11(16)15-4-6-17-7-5-15/h2-3,9-10H,4-8H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide?
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 94122810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).