5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide

C19H31N3O2S — CID 91829775

IUPAC5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H31N3O2S/c1-19(2,3)17-14(12-16(24-17)18(20)23)13-21-6-4-15(5-7-21)22-8-10-25-11-9-22/h12,15H,4-11,13H2,1-3H3,(H2,20,23)
InChIKeyALTMQHSLUFRPGM-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.69
Rot. Bonds4

About 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide

5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 91829775) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide
PubChem CID91829775
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)c1oc(C(N)=O)cc1CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H31N3O2S/c1-19(2,3)17-14(12-16(24-17)18(20)23)13-21-6-4-15(5-7-21)22-8-10-25-11-9-22/h12,15H,4-11,13H2,1-3H3,(H2,20,23)
InChIKeyALTMQHSLUFRPGM-UHFFFAOYSA-N
XLogP2.69
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxamide
CID 91841255
1-[(2-tert-butyl-5-carbamoylfuran-3-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91837890
5-tert-butyl-4-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]furan-2-carboxamide
CID 56914079
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171326906
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
2-amino-2-methyl-3-phenyl-1-(4-thiomorpholin-4-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 154891797
4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]benzonitrile
CID 171335414
1-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
CID 2913614
4-methyl-6-(3-methylbutyl)-3-(4-thiomorpholin-4-ylpiperidine-1-carbonyl)pyran-2-one
CID 169420497
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 118770423
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide (CID 91829775) is 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide is CC(C)(C)c1oc(C(N)=O)cc1CN1CCC(N2CCSCC2)CC1.
What is the InChIKey of 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is ALTMQHSLUFRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-19(2,3)17-14(12-16(24-17)18(20)23)13-21-6-4-15(5-7-21)22-8-10-25-11-9-22/h12,15H,4-11,13H2,1-3H3,(H2,20,23).
What are the key properties of 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide?
5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91829775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).