N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine

C9H11N3OS — CID 82685624

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
SMILESCn1ccnc1C(NO)c1cccs1
InChIInChI=1S/C9H11N3OS/c1-12-5-4-10-9(12)8(11-13)7-3-2-6-14-7/h2-6,8,11,13H,1H3
InChIKeyIHBVSSNWNAUJQH-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.55
Rot. Bonds3

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine (PubChem CID 82685624) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
PubChem CID82685624
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
SMILESCn1ccnc1C(NO)c1cccs1
InChIInChI=1S/C9H11N3OS/c1-12-5-4-10-9(12)8(11-13)7-3-2-6-14-7/h2-6,8,11,13H,1H3
InChIKeyIHBVSSNWNAUJQH-UHFFFAOYSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-3-yn-2-amine
CID 63999346
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43762036
2-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-3-methylsulfanylpropan-1-amine
CID 63981936
2-N,2-N,2-trimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 43767761

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine (CID 82685624) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine is Cn1ccnc1C(NO)c1cccs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine?
The InChIKey is IHBVSSNWNAUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-5-4-10-9(12)8(11-13)7-3-2-6-14-7/h2-6,8,11,13H,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine has a molecular weight of 209.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine is sourced from PubChem (CID 82685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).