N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H23N3O4S2 — CID 119455908

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O4S2/c20-16(18-13-9-11-1-2-12(10-13)17-11)15-14(3-8-24-15)25(21,22)19-4-6-23-7-5-19/h3,8,11-13,17H,1-2,4-7,9-10H2,(H,18,20)
InChIKeyNVBBIFZPWRDAMJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.78
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 119455908) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID119455908
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H23N3O4S2/c20-16(18-13-9-11-1-2-12(10-13)17-11)15-14(3-8-24-15)25(21,22)19-4-6-23-7-5-19/h3,8,11-13,17H,1-2,4-7,9-10H2,(H,18,20)
InChIKeyNVBBIFZPWRDAMJ-UHFFFAOYSA-N
XLogP0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
N-(1-adamantylmethyl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 38075450
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 119455908) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is O=C(NC1CC2CCC(C1)N2)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is NVBBIFZPWRDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c20-16(18-13-9-11-1-2-12(10-13)17-11)15-14(3-8-24-15)25(21,22)19-4-6-23-7-5-19/h3,8,11-13,17H,1-2,4-7,9-10H2,(H,18,20).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 119455908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).