9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C15H23N3O3S2 — CID 120984442

IUPAC9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCc1ccc(S(N)(=O)=O)s1)C2
InChIInChI=1S/C15H23N3O3S2/c16-14-9-2-1-3-10(14)7-11(6-9)15(19)18-8-12-4-5-13(22-12)23(17,20)21/h4-5,9-11,14H,1-3,6-8,16H2,(H,18,19)(H2,17,20,21)
InChIKeyLHUHNOJABVSNSO-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.17
Rot. Bonds4

About 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120984442) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120984442
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCc1ccc(S(N)(=O)=O)s1)C2
InChIInChI=1S/C15H23N3O3S2/c16-14-9-2-1-3-10(14)7-11(6-9)15(19)18-8-12-4-5-13(22-12)23(17,20)21/h4-5,9-11,14H,1-3,6-8,16H2,(H,18,19)(H2,17,20,21)
InChIKeyLHUHNOJABVSNSO-UHFFFAOYSA-N
XLogP1.17
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
2,2-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103837282
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]oxolane-2-carboxamide
CID 81425841
1-cyclohexyl-3-[(5-sulfamoylthiophen-2-yl)methyl]urea
CID 47120984
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
9-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992972
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120984442) is 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCc1ccc(S(N)(=O)=O)s1)C2.
What is the InChIKey of 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LHUHNOJABVSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c16-14-9-2-1-3-10(14)7-11(6-9)15(19)18-8-12-4-5-13(22-12)23(17,20)21/h4-5,9-11,14H,1-3,6-8,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(5-sulfamoylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120984442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).