N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

About N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (PubChem CID 53138589) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

Molecular Properties

Compound Name	N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
PubChem CID	53138589
Molecular Formula	C22H30N4O3S2
Molecular Weight	462.64 g/mol
Exact Mass	462.18
IUPAC Name	N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
SMILES	Cc1nc(-c2cc(S(=O)(=O)NCCC3=CCCCC3)cn2C)sc1C(=O)N1CCCC1
InChI	InChI=1S/C22H30N4O3S2/c1-16-20(22(27)26-12-6-7-13-26)30-21(24-16)19-14-18(15-25(19)2)31(28,29)23-11-10-17-8-4-3-5-9-17/h8,14-15,23H,3-7,9-13H2,1-2H3
InChIKey	JEOXSOXHFDDPKB-UHFFFAOYSA-N
XLogP	3.86
TPSA	84.30 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide (CID 53138589) is N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide.

What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NCCC3=CCCCC3)cn2C)sc1C(=O)N1CCCC1.

What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

The InChIKey is JEOXSOXHFDDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c1-16-20(22(27)26-12-6-7-13-26)30-21(24-16)19-14-18(15-25(19)2)31(28,29)23-11-10-17-8-4-3-5-9-17/h8,14-15,23H,3-7,9-13H2,1-2H3.

What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide?

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide has a molecular weight of 462.64 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide is sourced from PubChem (CID 53138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).