N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C14H22N2O2S — CID 30747014

IUPACN-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCC(C)[C@H](C)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12(3)15-19(17,18)16-9-8-13-6-4-5-7-14(13)10-16/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyDQPMDQXSBCQCSK-LBPRGKRZSA-N
MW282.41 g/mol
LogP1.92
Rot. Bonds4

About N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 30747014) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID30747014
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCC(C)[C@H](C)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2O2S/c1-11(2)12(3)15-19(17,18)16-9-8-13-6-4-5-7-14(13)10-16/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyDQPMDQXSBCQCSK-LBPRGKRZSA-N
XLogP1.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 30747014) is N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CC(C)[C@H](C)NS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is DQPMDQXSBCQCSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)12(3)15-19(17,18)16-9-8-13-6-4-5-7-14(13)10-16/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 30747014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).