N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine

C15H34N4O4S — CID 174945817

IUPACN-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
SMILESCCCCCN(O)N(O)CCCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H34N4O4S/c1-3-4-6-9-18(20)19(21)10-7-5-8-15-24(22,23)17-13-11-16(2)12-14-17/h20-21H,3-15H2,1-2H3
InChIKeyICTGNDFQYQDHBM-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.22
Rot. Bonds12

About N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine

N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine (PubChem CID 174945817) has the molecular formula C15H34N4O4S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine.

Molecular Properties

Compound NameN-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
PubChem CID174945817
Molecular FormulaC15H34N4O4S
Molecular Weight366.53 g/mol
Exact Mass366.23
IUPAC NameN-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
SMILESCCCCCN(O)N(O)CCCCCS(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C15H34N4O4S/c1-3-4-6-9-18(20)19(21)10-7-5-8-15-24(22,23)17-13-11-16(2)12-14-17/h20-21H,3-15H2,1-2H3
InChIKeyICTGNDFQYQDHBM-UHFFFAOYSA-N
XLogP1.22
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
4-dodecylsulfonyl-1-ethyl-1-methylpiperazin-1-ium
CID 24945350
1,1-diethyl-4-octylsulfonylpiperazin-1-ium iodide
CID 44887801
1-butylsulfonyl-4-propylsulfonyl-1,4-diazepane
CID 110799667
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770
1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine
CID 86743747
2-(4-butylsulfonylpiperazin-1-yl)-2-methylpropan-1-ol
CID 75400468
1-ethyl-1-methyl-4-octadecylsulfonylpiperazin-1-ium iodide
CID 24945082
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine?
The IUPAC name of N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine (CID 174945817) is N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine.
What is the SMILES notation for N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine?
The canonical SMILES for N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine is CCCCCN(O)N(O)CCCCCS(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine?
The InChIKey is ICTGNDFQYQDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O4S/c1-3-4-6-9-18(20)19(21)10-7-5-8-15-24(22,23)17-13-11-16(2)12-14-17/h20-21H,3-15H2,1-2H3.
What are the key properties of N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine?
N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine has a molecular weight of 366.53 g/mol, XLogP of 1.22, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine is sourced from PubChem (CID 174945817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).