N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine

C26H35N3O4S — CID 11641610

IUPACN-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine
SMILESCCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)NO
InChIInChI=1S/C26H35N3O4S/c1-2-3-4-5-9-12-24(27-30)22-34(31,32)29-19-17-28(18-20-29)25-13-15-26(16-14-25)33-21-23-10-7-6-8-11-23/h6-8,10-11,13-16,24,27,30H,2-5,17-22H2,1H3
InChIKeyMMLZGSSPXFIDSL-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.65
Rot. Bonds11

About N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine

N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine (PubChem CID 11641610) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine
PubChem CID11641610
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine
SMILESCCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)NO
InChIInChI=1S/C26H35N3O4S/c1-2-3-4-5-9-12-24(27-30)22-34(31,32)29-19-17-28(18-20-29)25-13-15-26(16-14-25)33-21-23-10-7-6-8-11-23/h6-8,10-11,13-16,24,27,30H,2-5,17-22H2,1H3
InChIKeyMMLZGSSPXFIDSL-UHFFFAOYSA-N
XLogP3.65
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-ylcarbamic acid
CID 67298264
N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yloxy]formamide
CID 90797595
1-butylsulfonyl-4-(4-phenylmethoxyphenyl)piperazine
CID 113079245
1-[(Z)-non-1-en-3-ynyl]sulfonyl-4-[4-(phenoxymethyl)phenyl]piperazine
CID 174532764
2-[(4-phenylpiperazin-1-yl)sulfonylmethyl]non-3-ynamide
CID 174532759
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
N-[4-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbut-3-yn-2-yl]hydroxylamine
CID 11632442
1-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-4-phenylbut-3-yn-2-ol
CID 69469561
CID 143249477
CID 143249477
1-(4-methoxyphenyl)-4-[(E)-non-1-en-3-ynyl]sulfonylpiperazine
CID 87345524
N-[3,3-dimethyl-6-phenyl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylhex-5-yn-2-yl]hydroxylamine
CID 87345230
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine?
The IUPAC name of N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine (CID 11641610) is N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine.
What is the SMILES notation for N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine?
The canonical SMILES for N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine is CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)NO.
What is the InChIKey of N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine?
The InChIKey is MMLZGSSPXFIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-2-3-4-5-9-12-24(27-30)22-34(31,32)29-19-17-28(18-20-29)25-13-15-26(16-14-25)33-21-23-10-7-6-8-11-23/h6-8,10-11,13-16,24,27,30H,2-5,17-22H2,1H3.
What are the key properties of N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine?
N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine has a molecular weight of 485.65 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]sulfonylnon-3-yn-2-yl]hydroxylamine is sourced from PubChem (CID 11641610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).