(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C17H18N2O3S2 — CID 7384562

IUPAC(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@H]1C(=O)N2CCCc3cc(S(=O)(=O)NCc4cccs4)cc1c32
InChIInChI=1S/C17H18N2O3S2/c1-11-15-9-14(24(21,22)18-10-13-5-3-7-23-13)8-12-4-2-6-19(16(12)15)17(11)20/h3,5,7-9,11,18H,2,4,6,10H2,1H3/t11-/m1/s1
InChIKeyVYNCJOPFSCOMCD-LLVKDONJSA-N
MW362.48 g/mol
LogP2.62
Rot. Bonds4

About (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7384562) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7384562
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@H]1C(=O)N2CCCc3cc(S(=O)(=O)NCc4cccs4)cc1c32
InChIInChI=1S/C17H18N2O3S2/c1-11-15-9-14(24(21,22)18-10-13-5-3-7-23-13)8-12-4-2-6-19(16(12)15)17(11)20/h3,5,7-9,11,18H,2,4,6,10H2,1H3/t11-/m1/s1
InChIKeyVYNCJOPFSCOMCD-LLVKDONJSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-{[(2-thienylmethyl)amino]sulfonyl}indolin-2-one
CID 1511491
3-Methyl-6-(piperidine-1-sulfonyl)-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one
CID 16803351
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
1-propionyl-N-(thien-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3245271
N-butyl-1-methyl-2-oxo-N-phenyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 16032270
N,1-dimethyl-2-oxo-N-phenyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 22584712
1-methyl-N-(3-methylphenyl)-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 22584722
3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-(thiophen-2-ylsulfonyl)acrylamide
CID 46885652
N-isobutyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 7287041
N-(3-methylbutyl)-11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-triene-6-sulfonamide
CID 7526358
1-methyl-2-oxo-N-propyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinoline-8-sulfonamide
CID 16823249

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7384562) is (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is C[C@H]1C(=O)N2CCCc3cc(S(=O)(=O)NCc4cccs4)cc1c32.
What is the InChIKey of (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is VYNCJOPFSCOMCD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-11-15-9-14(24(21,22)18-10-13-5-3-7-23-13)8-12-4-2-6-19(16(12)15)17(11)20/h3,5,7-9,11,18H,2,4,6,10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
(3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7384562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).