N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide

C15H23ClN2O2S — CID 106332802

IUPACN-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCNS(C)(=O)=O
InChIInChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-4-8-18-21(3,19)20/h5-6,9,14,17-18H,4,7-8,10H2,1-3H3
InChIKeySLMDSKMCZJOGGR-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.49
Rot. Bonds6

About N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide

N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide (PubChem CID 106332802) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide
PubChem CID106332802
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCCCNS(C)(=O)=O
InChIInChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-4-8-18-21(3,19)20/h5-6,9,14,17-18H,4,7-8,10H2,1-3H3
InChIKeySLMDSKMCZJOGGR-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide 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-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide (CID 106332802) is N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide is CC1(C)Cc2ccc(Cl)cc2C1NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide?
The InChIKey is SLMDSKMCZJOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-15(2)10-11-5-6-12(16)9-13(11)14(15)17-7-4-8-18-21(3,19)20/h5-6,9,14,17-18H,4,7-8,10H2,1-3H3.
What are the key properties of N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 106332802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).