N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide

C20H34N2O2S — CID 70939258

IUPACN-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2c1C(C)CC2
InChIInChI=1S/C20H34N2O2S/c1-15-9-10-17-14-18(13-16(2)19(15)17)21-11-7-6-8-12-22-25(23,24)20(3,4)5/h13-15,21-22H,6-12H2,1-5H3
InChIKeyMCUPTWISUGZLRD-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.34
Rot. Bonds8

About N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide

N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939258) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
PubChem CID70939258
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC NameN-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2c1C(C)CC2
InChIInChI=1S/C20H34N2O2S/c1-15-9-10-17-14-18(13-16(2)19(15)17)21-11-7-6-8-12-22-25(23,24)20(3,4)5/h13-15,21-22H,6-12H2,1-5H3
InChIKeyMCUPTWISUGZLRD-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.34
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-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide (CID 70939258) is N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide is Cc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)cc2c1C(C)CC2.
What is the InChIKey of N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is MCUPTWISUGZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-15-9-10-17-14-18(13-16(2)19(15)17)21-11-7-6-8-12-22-25(23,24)20(3,4)5/h13-15,21-22H,6-12H2,1-5H3.
What are the key properties of N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 366.57 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).