[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium

C17H26NOS+ — CID 7623118

IUPAC[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)CC[C@@H](CC[NH2+]Cc1cccs1)c1ccco1
InChIInChI=1S/C17H25NOS/c1-14(2)7-8-15(17-6-3-11-19-17)9-10-18-13-16-5-4-12-20-16/h3-6,11-12,14-15,18H,7-10,13H2,1-2H3/p+1/t15-/m0/s1
InChIKeyNKKKVOUHYNVHPH-HNNXBMFYSA-O
MW292.47 g/mol
LogP4.01
Rot. Bonds9

About [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium

[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium (PubChem CID 7623118) has the molecular formula C17H26NOS+ and a molecular weight of 292.47 g/mol. Its IUPAC name is [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium
PubChem CID7623118
Molecular FormulaC17H26NOS+
Molecular Weight292.47 g/mol
Exact Mass292.17
IUPAC Name[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium
SMILESCC(C)CC[C@@H](CC[NH2+]Cc1cccs1)c1ccco1
InChIInChI=1S/C17H25NOS/c1-14(2)7-8-15(17-6-3-11-19-17)9-10-18-13-16-5-4-12-20-16/h3-6,11-12,14-15,18H,7-10,13H2,1-2H3/p+1/t15-/m0/s1
InChIKeyNKKKVOUHYNVHPH-HNNXBMFYSA-O
XLogP4.01
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethoxyphenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium
CID 7094102
(4-ethoxy-3-methoxyphenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium
CID 7581729
[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium
CID 7553123
[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-6-methylheptyl]-(thiophen-2-ylmethyl)azanium
CID 7554252
(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7458318
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
(3R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-6-methylheptan-1-amine
CID 7632387
N-[furan-2-yl(phenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43692754
[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7437171
(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
CID 7407070
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium (CID 7623118) is [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium is CC(C)CC[C@@H](CC[NH2+]Cc1cccs1)c1ccco1.
What is the InChIKey of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium?
The InChIKey is NKKKVOUHYNVHPH-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H25NOS/c1-14(2)7-8-15(17-6-3-11-19-17)9-10-18-13-16-5-4-12-20-16/h3-6,11-12,14-15,18H,7-10,13H2,1-2H3/p+1/t15-/m0/s1.
What are the key properties of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium?
[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium has a molecular weight of 292.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7623118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).