[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine

C10H16N2OS — CID 82508530

IUPAC[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine
SMILESNCc1ccc(N2CCCSCC2)o1
InChIInChI=1S/C10H16N2OS/c11-8-9-2-3-10(13-9)12-4-1-6-14-7-5-12/h2-3H,1,4-8,11H2
InChIKeyHLXPGCBLODGMDT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.68
Rot. Bonds2

About [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine

[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine (PubChem CID 82508530) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine
PubChem CID82508530
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine
SMILESNCc1ccc(N2CCCSCC2)o1
InChIInChI=1S/C10H16N2OS/c11-8-9-2-3-10(13-9)12-4-1-6-14-7-5-12/h2-3H,1,4-8,11H2
InChIKeyHLXPGCBLODGMDT-UHFFFAOYSA-N
XLogP1.68
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine
CID 82505435
1-(5-ethylfuran-2-yl)piperidine
CID 137390727
1-[5-(aminomethyl)furan-2-yl]-1,4-diazepan-5-one
CID 82507761
5-thiomorpholin-4-ylfuran-2-carboxylic acid
CID 62204593
(2R)-2-amino-3-(5-pyrrolidin-1-ylfuran-2-yl)propanoic acid
CID 129366754
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
CID 61419204
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
methyl 2-amino-3-(5-piperidin-1-ylfuran-2-yl)propanoate
CID 170883928
2-propan-2-yloxy-4-(1,4-thiazepan-4-yl)aniline
CID 83002240
3-amino-4-(1,4-thiazepan-4-yl)benzonitrile
CID 61419128

Frequently Asked Questions

What is the IUPAC name of [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine (CID 82508530) is [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine is NCc1ccc(N2CCCSCC2)o1.
What is the InChIKey of [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine?
The InChIKey is HLXPGCBLODGMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-8-9-2-3-10(13-9)12-4-1-6-14-7-5-12/h2-3H,1,4-8,11H2.
What are the key properties of [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine?
[5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,4-thiazepan-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 82508530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).