N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide

C13H19ClN2O2S — CID 103776642

IUPACN-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)16-6-2-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3
InChIKeyBBJGKUMBUNLLKB-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.34
Rot. Bonds6

About N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide

N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide (PubChem CID 103776642) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
PubChem CID103776642
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H19ClN2O2S/c1-19(17,18)16-6-2-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3
InChIKeyBBJGKUMBUNLLKB-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide (CID 103776642) is N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide?
The InChIKey is BBJGKUMBUNLLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-19(17,18)16-6-2-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide?
N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103776642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).