N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide

C20H34N2O2S — CID 59231351

IUPACN-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)c(C)c2c1CCC2
InChIInChI=1S/C20H34N2O2S/c1-15-14-19(16(2)18-11-9-10-17(15)18)21-12-7-6-8-13-22-25(23,24)20(3,4)5/h14,21-22H,6-13H2,1-5H3
InChIKeyAOUMKUXPFVVPGR-UHFFFAOYSA-N
MW366.57 g/mol
LogP4.09
Rot. Bonds8

About N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide

N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 59231351) has the molecular formula C20H34N2O2S and a molecular weight of 366.57 g/mol. Its IUPAC name is N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
PubChem CID59231351
Molecular FormulaC20H34N2O2S
Molecular Weight366.57 g/mol
Exact Mass366.23
IUPAC NameN-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)c(C)c2c1CCC2
InChIInChI=1S/C20H34N2O2S/c1-15-14-19(16(2)18-11-9-10-17(15)18)21-12-7-6-8-13-22-25(23,24)20(3,4)5/h14,21-22H,6-13H2,1-5H3
InChIKeyAOUMKUXPFVVPGR-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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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Related Compounds

N'-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59230333
N-[5-[(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939743
N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939258
N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637
N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628
N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
CID 89118415
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939642
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide (CID 59231351) is N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide is Cc1cc(NCCCCCNS(=O)(=O)C(C)(C)C)c(C)c2c1CCC2.
What is the InChIKey of N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is AOUMKUXPFVVPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2S/c1-15-14-19(16(2)18-11-9-10-17(15)18)21-12-7-6-8-13-22-25(23,24)20(3,4)5/h14,21-22H,6-13H2,1-5H3.
What are the key properties of N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide?
N-[5-[(4,7-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 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 59231351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).