2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one

C13H24N6OS — CID 10041233

IUPAC2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one
SMILESCCNC(CC(C)C)C(=O)N1CCSCC1c1nn[nH]n1
InChIInChI=1S/C13H24N6OS/c1-4-14-10(7-9(2)3)13(20)19-5-6-21-8-11(19)12-15-17-18-16-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyPDUIGHGPMFPPOV-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.84
Rot. Bonds6

About 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one

2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one (PubChem CID 10041233) has the molecular formula C13H24N6OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one
PubChem CID10041233
Molecular FormulaC13H24N6OS
Molecular Weight312.44 g/mol
Exact Mass312.17
IUPAC Name2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one
SMILESCCNC(CC(C)C)C(=O)N1CCSCC1c1nn[nH]n1
InChIInChI=1S/C13H24N6OS/c1-4-14-10(7-9(2)3)13(20)19-5-6-21-8-11(19)12-15-17-18-16-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17,18)
InChIKeyPDUIGHGPMFPPOV-UHFFFAOYSA-N
XLogP0.84
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one?
The IUPAC name of 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one (CID 10041233) is 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one?
The canonical SMILES for 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one is CCNC(CC(C)C)C(=O)N1CCSCC1c1nn[nH]n1.
What is the InChIKey of 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one?
The InChIKey is PDUIGHGPMFPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6OS/c1-4-14-10(7-9(2)3)13(20)19-5-6-21-8-11(19)12-15-17-18-16-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one?
2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one has a molecular weight of 312.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-1-[3-(2H-tetrazol-5-yl)thiomorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 10041233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).