ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate

C13H25N5O4S — CID 138050158

IUPACethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(=O)(=O)c1cnn(CC)n1)CC(C)C
InChIInChI=1S/C13H25N5O4S/c1-5-18-14-9-12(17-18)23(20,21)15-8-11(7-10(3)4)16-13(19)22-6-2/h9-11,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyDJSZRPGTZBAKLU-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.74
Rot. Bonds9

About ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate (PubChem CID 138050158) has the molecular formula C13H25N5O4S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate
PubChem CID138050158
Molecular FormulaC13H25N5O4S
Molecular Weight347.44 g/mol
Exact Mass347.16
IUPAC Nameethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNS(=O)(=O)c1cnn(CC)n1)CC(C)C
InChIInChI=1S/C13H25N5O4S/c1-5-18-14-9-12(17-18)23(20,21)15-8-11(7-10(3)4)16-13(19)22-6-2/h9-11,15H,5-8H2,1-4H3,(H,16,19)
InChIKeyDJSZRPGTZBAKLU-UHFFFAOYSA-N
XLogP0.74
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate (CID 138050158) is ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNS(=O)(=O)c1cnn(CC)n1)CC(C)C.
What is the InChIKey of ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate?
The InChIKey is DJSZRPGTZBAKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O4S/c1-5-18-14-9-12(17-18)23(20,21)15-8-11(7-10(3)4)16-13(19)22-6-2/h9-11,15H,5-8H2,1-4H3,(H,16,19).
What are the key properties of ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate has a molecular weight of 347.44 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(2-ethyltriazol-4-yl)sulfonylamino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 138050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).