4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide

C17H23N3O2S2 — CID 22850910

IUPAC4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H23N3O2S2/c1-12-11-14-7-10-23-17(14)13(2)20(12)9-8-19-24(21,22)16-5-3-15(18)4-6-16/h3-7,10,12-13,19H,8-9,11,18H2,1-2H3/t12-,13+/m1/s1
InChIKeyPXVGBYVIAODISN-OLZOCXBDSA-N
MW365.52 g/mol
LogP2.62
Rot. Bonds5

About 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide

4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide (PubChem CID 22850910) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide
PubChem CID22850910
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C17H23N3O2S2/c1-12-11-14-7-10-23-17(14)13(2)20(12)9-8-19-24(21,22)16-5-3-15(18)4-6-16/h3-7,10,12-13,19H,8-9,11,18H2,1-2H3/t12-,13+/m1/s1
InChIKeyPXVGBYVIAODISN-OLZOCXBDSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
N-[3-[(5R,7S)-7-methyl-5-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]propyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 67850786
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]pyridine-4-carboxamide
CID 19093918
N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-(methanesulfonamido)benzamide
CID 54241097
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 19093816
4-cyano-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
CID 54527661
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide (CID 22850910) is 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide is C[C@@H]1Cc2ccsc2[C@H](C)N1CCNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide?
The InChIKey is PXVGBYVIAODISN-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-12-11-14-7-10-23-17(14)13(2)20(12)9-8-19-24(21,22)16-5-3-15(18)4-6-16/h3-7,10,12-13,19H,8-9,11,18H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide?
4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22850910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).