N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide

C22H34N4O3S — CID 91603261

IUPACN-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCC(OCCCCCCNCC3CC3)CC2)cc1
InChIInChI=1S/C22H34N4O3S/c23-17-19-7-9-21(10-8-19)25-30(27,28)26-14-11-22(12-15-26)29-16-4-2-1-3-13-24-18-20-5-6-20/h7-10,20,22,24-25H,1-6,11-16,18H2
InChIKeyYQHSZHWKRSYNBS-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.26
Rot. Bonds13

About N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide

N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide (PubChem CID 91603261) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide
PubChem CID91603261
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC NameN-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)N2CCC(OCCCCCCNCC3CC3)CC2)cc1
InChIInChI=1S/C22H34N4O3S/c23-17-19-7-9-21(10-8-19)25-30(27,28)26-14-11-22(12-15-26)29-16-4-2-1-3-13-24-18-20-5-6-20/h7-10,20,22,24-25H,1-6,11-16,18H2
InChIKeyYQHSZHWKRSYNBS-UHFFFAOYSA-N
XLogP3.26
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
N-(4-cyanophenyl)piperazine-1-sulfonamide
CID 28775902
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
N-(4-methoxyphenyl)-4-[6-[methyl(prop-2-enyl)amino]hexoxy]piperidine-1-sulfonamide
CID 91525905
4-[6-[methyl(prop-2-enyl)amino]hexoxy]-N-phenylpiperidine-1-sulfonamide
CID 10179715
N-(cyclopropylmethyl)-6-piperidin-4-yloxyhexan-1-amine
CID 69287990
4-[6-(but-3-enylamino)hexoxy]-N-(2,4-difluorophenyl)piperidine-1-sulfonamide
CID 141050426
(4-cyanophenyl)sulfamic acid
CID 15847253
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
4-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzonitrile
CID 79732133
4-(methylaminomethyl)-N-(4-methylsulfanylphenyl)piperidine-1-sulfonamide
CID 106057817

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide (CID 91603261) is N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide is N#Cc1ccc(NS(=O)(=O)N2CCC(OCCCCCCNCC3CC3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide?
The InChIKey is YQHSZHWKRSYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c23-17-19-7-9-21(10-8-19)25-30(27,28)26-14-11-22(12-15-26)29-16-4-2-1-3-13-24-18-20-5-6-20/h7-10,20,22,24-25H,1-6,11-16,18H2.
What are the key properties of N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide?
N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide has a molecular weight of 434.61 g/mol, XLogP of 3.26, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[6-(cyclopropylmethylamino)hexoxy]piperidine-1-sulfonamide is sourced from PubChem (CID 91603261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).