N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide

C16H21N3O2S — CID 50974274

IUPACN-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide
SMILESCc1cc(NCCNS(C)(=O)=O)nc2cc3c(cc12)CCC3
InChIInChI=1S/C16H21N3O2S/c1-11-8-16(17-6-7-18-22(2,20)21)19-15-10-13-5-3-4-12(13)9-14(11)15/h8-10,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyWYXMHNYUNWRKOB-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.99
Rot. Bonds5

About N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide

N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 50974274) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide
PubChem CID50974274
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide
SMILESCc1cc(NCCNS(C)(=O)=O)nc2cc3c(cc12)CCC3
InChIInChI=1S/C16H21N3O2S/c1-11-8-16(17-6-7-18-22(2,20)21)19-15-10-13-5-3-4-12(13)9-14(11)15/h8-10,18H,3-7H2,1-2H3,(H,17,19)
InChIKeyWYXMHNYUNWRKOB-UHFFFAOYSA-N
XLogP1.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide (CID 50974274) is N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide is Cc1cc(NCCNS(C)(=O)=O)nc2cc3c(cc12)CCC3.
What is the InChIKey of N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is WYXMHNYUNWRKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-8-16(17-6-7-18-22(2,20)21)19-15-10-13-5-3-4-12(13)9-14(11)15/h8-10,18H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 50974274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).