N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine

C17H21N6OS+ — CID 9449726

IUPACN-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H20N6OS/c1-2-5-14(6-3-1)23-17(19-20-21-23)18-13-15(16-7-4-12-25-16)22-8-10-24-11-9-22/h1-7,12,15H,8-11,13H2,(H,18,19,21)/p+1/t15-/m0/s1
InChIKeyDPWKFYQVVUYGLR-HNNXBMFYSA-O
MW357.46 g/mol
LogP0.79
Rot. Bonds6

About N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine

N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine (PubChem CID 9449726) has the molecular formula C17H21N6OS+ and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine
PubChem CID9449726
Molecular FormulaC17H21N6OS+
Molecular Weight357.46 g/mol
Exact Mass357.15
IUPAC NameN-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C17H20N6OS/c1-2-5-14(6-3-1)23-17(19-20-21-23)18-13-15(16-7-4-12-25-16)22-8-10-24-11-9-22/h1-7,12,15H,8-11,13H2,(H,18,19,21)/p+1/t15-/m0/s1
InChIKeyDPWKFYQVVUYGLR-HNNXBMFYSA-O
XLogP0.79
TPSA69.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine with MolForge

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Related Compounds

N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
CID 9023675
4-[(S)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140876
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-1-phenyltetrazol-5-amine
CID 42943739
1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 133300991
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
CID 78963065
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
4-[(R)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250840
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
4-[(S)-(4-chlorophenyl)-(1-phenyltetrazol-5-yl)methyl]morpholin-4-ium
CID 7250842
N-[(3-bromothiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 78983843
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine (CID 9449726) is N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NC[C@@H](c2cccs2)[NH+]2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine?
The InChIKey is DPWKFYQVVUYGLR-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H20N6OS/c1-2-5-14(6-3-1)23-17(19-20-21-23)18-13-15(16-7-4-12-25-16)22-8-10-24-11-9-22/h1-7,12,15H,8-11,13H2,(H,18,19,21)/p+1/t15-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine?
N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine has a molecular weight of 357.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9449726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).