N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide

C18H29N3O3S — CID 89118415

IUPACN-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)25(23,24)20-12-6-4-5-11-19-15-8-9-16-14(13-15)7-10-17(16)21-22/h8-9,13,19-20,22H,4-7,10-12H2,1-3H3/b21-17+
InChIKeyYRHFYVXBHBSEGJ-HEHNFIMWSA-N
MW367.52 g/mol
LogP3.11
Rot. Bonds8

About N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide

N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 89118415) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
PubChem CID89118415
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C18H29N3O3S/c1-18(2,3)25(23,24)20-12-6-4-5-11-19-15-8-9-16-14(13-15)7-10-17(16)21-22/h8-9,13,19-20,22H,4-7,10-12H2,1-3H3/b21-17+
InChIKeyYRHFYVXBHBSEGJ-HEHNFIMWSA-N
XLogP3.11
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
N-[5-(3-fluoro-4-methoxyanilino)pentyl]-2-methylpropane-2-sulfonamide
CID 59231544
N-[5-(1,3-benzothiazol-6-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939102
N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628
N-[5-[(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939258
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939642
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
CID 70939637

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide (CID 89118415) is N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is YRHFYVXBHBSEGJ-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-18(2,3)25(23,24)20-12-6-4-5-11-19-15-8-9-16-14(13-15)7-10-17(16)21-22/h8-9,13,19-20,22H,4-7,10-12H2,1-3H3/b21-17+.
What are the key properties of N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide?
N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 89118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).