N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide

C16H26N4OS — CID 129415293

IUPACN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1CSCCN1
InChIInChI=1S/C16H26N4OS/c1-20-15(10-14(19-20)12-5-3-2-4-6-12)18-16(21)9-13-11-22-8-7-17-13/h10,12-13,17H,2-9,11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyHVDVTAXSGVTVAU-ZDUSSCGKSA-N
MW322.48 g/mol
LogP2.50
Rot. Bonds4

About N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide

N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide (PubChem CID 129415293) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide
PubChem CID129415293
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide
SMILESCn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1CSCCN1
InChIInChI=1S/C16H26N4OS/c1-20-15(10-14(19-20)12-5-3-2-4-6-12)18-16(21)9-13-11-22-8-7-17-13/h10,12-13,17H,2-9,11H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyHVDVTAXSGVTVAU-ZDUSSCGKSA-N
XLogP2.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 115746711
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide (CID 129415293) is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide is Cn1nc(C2CCCCC2)cc1NC(=O)C[C@H]1CSCCN1.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide?
The InChIKey is HVDVTAXSGVTVAU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-20-15(10-14(19-20)12-5-3-2-4-6-12)18-16(21)9-13-11-22-8-7-17-13/h10,12-13,17H,2-9,11H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide?
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide has a molecular weight of 322.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide is sourced from PubChem (CID 129415293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).