2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine

C13H26N6OS — CID 79172516

IUPAC2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCn1nnnc1SCC1CN(C)CCO1
InChIInChI=1S/C13H26N6OS/c1-11(2)8-14-4-5-19-13(15-16-17-19)21-10-12-9-18(3)6-7-20-12/h11-12,14H,4-10H2,1-3H3
InChIKeyAINFWBCOPKMVIG-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.34
Rot. Bonds8

About 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine

2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine (PubChem CID 79172516) has the molecular formula C13H26N6OS and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
PubChem CID79172516
Molecular FormulaC13H26N6OS
Molecular Weight314.46 g/mol
Exact Mass314.19
IUPAC Name2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCn1nnnc1SCC1CN(C)CCO1
InChIInChI=1S/C13H26N6OS/c1-11(2)8-14-4-5-19-13(15-16-17-19)21-10-12-9-18(3)6-7-20-12/h11-12,14H,4-10H2,1-3H3
InChIKeyAINFWBCOPKMVIG-UHFFFAOYSA-N
XLogP0.34
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

N-[2-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]ethyl]-2-methylpropan-1-amine
CID 114526814
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CID 124741283
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
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N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]cyclopropanamine
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2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
1-[4-[(4-methylmorpholin-2-yl)methylsulfanyl]phenyl]ethanamine
CID 79183022
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554802
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine (CID 79172516) is 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine is CC(C)CNCCn1nnnc1SCC1CN(C)CCO1.
What is the InChIKey of 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine?
The InChIKey is AINFWBCOPKMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6OS/c1-11(2)8-14-4-5-19-13(15-16-17-19)21-10-12-9-18(3)6-7-20-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine has a molecular weight of 314.46 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-[(4-methylmorpholin-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79172516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).