N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide

C19H29N3O2S — CID 110612376

IUPACN-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCC1(C)CN2CCN(S(=O)(=O)NC3CCCC3)CC2c2ccccc21
InChIInChI=1S/C19H29N3O2S/c1-19(2)14-21-11-12-22(25(23,24)20-15-7-3-4-8-15)13-18(21)16-9-5-6-10-17(16)19/h5-6,9-10,15,18,20H,3-4,7-8,11-14H2,1-2H3
InChIKeyAEAITSXWDRHBSZ-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.41
Rot. Bonds3

About N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide

N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (PubChem CID 110612376) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
PubChem CID110612376
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
SMILESCC1(C)CN2CCN(S(=O)(=O)NC3CCCC3)CC2c2ccccc21
InChIInChI=1S/C19H29N3O2S/c1-19(2)14-21-11-12-22(25(23,24)20-15-7-3-4-8-15)13-18(21)16-9-5-6-10-17(16)19/h5-6,9-10,15,18,20H,3-4,7-8,11-14H2,1-2H3
InChIKeyAEAITSXWDRHBSZ-UHFFFAOYSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide with MolForge

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Related Compounds

1-(7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-5-phenylpentane-1,5-dione
CID 110612359
3-amino-1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)pyrrolidine-3-carboxylic acid
CID 107321063
1-(7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-4-(2-methylphenyl)butane-1,4-dione
CID 110612379
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
1-(7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)-4-(4-fluorophenyl)butane-1,4-dione
CID 110421982
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
7,7-dimethyl-2-(2-methylphenyl)sulfonyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
CID 110424374
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N,4-dimethylpiperidin-4-amine
CID 115304087
3-[2-(cyclopentylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190613
N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 60728637
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The IUPAC name of N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide (CID 110612376) is N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide.
What is the SMILES notation for N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The canonical SMILES for N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is CC1(C)CN2CCN(S(=O)(=O)NC3CCCC3)CC2c2ccccc21.
What is the InChIKey of N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
The InChIKey is AEAITSXWDRHBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-19(2)14-21-11-12-22(25(23,24)20-15-7-3-4-8-15)13-18(21)16-9-5-6-10-17(16)19/h5-6,9-10,15,18,20H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide?
N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide has a molecular weight of 363.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide is sourced from PubChem (CID 110612376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).