4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine

C10H19N3OS — CID 107782443

IUPAC4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3OS/c1-14-8-7-11-4-2-3-9-15-10-12-5-6-13-10/h5-6,11H,2-4,7-9H2,1H3,(H,12,13)
InChIKeyDHHGPDBCULDKLG-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.52
Rot. Bonds9

About 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine

4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 107782443) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID107782443
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCSc1ncc[nH]1
InChIInChI=1S/C10H19N3OS/c1-14-8-7-11-4-2-3-9-15-10-12-5-6-13-10/h5-6,11H,2-4,7-9H2,1H3,(H,12,13)
InChIKeyDHHGPDBCULDKLG-UHFFFAOYSA-N
XLogP1.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 107781363
3-(1H-imidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 107781358
4-(1H-imidazol-2-ylsulfanyl)butan-1-ol
CID 107780906
N-(2-methoxyethyl)-4-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62581894
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyethyl)butan-1-amine
CID 62585236
9-(1H-imidazol-2-ylsulfanyl)nonane-1-thiol
CID 107784739
5-(1H-imidazol-2-ylsulfanyl)pentane-1-thiol
CID 107784746
2-(3-bromopropylsulfanyl)-1H-imidazole
CID 107779117
3-(1H-imidazol-2-ylsulfanyl)propan-1-ol
CID 19031092
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
CID 107783913
N-(cyclopropylmethyl)-2-(1H-imidazol-2-ylsulfanyl)ethanamine
CID 107782466
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine (CID 107782443) is 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCSc1ncc[nH]1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is DHHGPDBCULDKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-14-8-7-11-4-2-3-9-15-10-12-5-6-13-10/h5-6,11H,2-4,7-9H2,1H3,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine?
4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 107782443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).