N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide

C16H24N2O2S — CID 119799168

IUPACN-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(c2cccs2)CCCCC1)C1COCCN1
InChIInChI=1S/C16H24N2O2S/c19-15(13-11-20-9-8-17-13)18-12-16(6-2-1-3-7-16)14-5-4-10-21-14/h4-5,10,13,17H,1-3,6-9,11-12H2,(H,18,19)
InChIKeyBFPFCIDGMGLNPR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.05
Rot. Bonds4

About N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide

N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide (PubChem CID 119799168) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
PubChem CID119799168
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1(c2cccs2)CCCCC1)C1COCCN1
InChIInChI=1S/C16H24N2O2S/c19-15(13-11-20-9-8-17-13)18-12-16(6-2-1-3-7-16)14-5-4-10-21-14/h4-5,10,13,17H,1-3,6-9,11-12H2,(H,18,19)
InChIKeyBFPFCIDGMGLNPR-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
N-[(1-phenylsulfanylcyclopentyl)methyl]morpholine-3-carboxamide
CID 119782639
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119786264
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825

Frequently Asked Questions

What is the IUPAC name of N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide (CID 119799168) is N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide is O=C(NCC1(c2cccs2)CCCCC1)C1COCCN1.
What is the InChIKey of N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide?
The InChIKey is BFPFCIDGMGLNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-15(13-11-20-9-8-17-13)18-12-16(6-2-1-3-7-16)14-5-4-10-21-14/h4-5,10,13,17H,1-3,6-9,11-12H2,(H,18,19).
What are the key properties of N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide?
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119799168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).