N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide

C12H20N6O3S — CID 9388520

IUPACN-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CSc1nnnn1C[C@H]1CCCO1
InChIInChI=1S/C12H20N6O3S/c1-2-13-10(19)6-14-11(20)8-22-12-15-16-17-18(12)7-9-4-3-5-21-9/h9H,2-8H2,1H3,(H,13,19)(H,14,20)/t9-/m1/s1
InChIKeyLNUXJIKCTCFXJG-SECBINFHSA-N
MW328.40 g/mol
LogP-0.80
Rot. Bonds8

About N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide

N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (PubChem CID 9388520) has the molecular formula C12H20N6O3S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
PubChem CID9388520
Molecular FormulaC12H20N6O3S
Molecular Weight328.40 g/mol
Exact Mass328.13
IUPAC NameN-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCCNC(=O)CNC(=O)CSc1nnnn1C[C@H]1CCCO1
InChIInChI=1S/C12H20N6O3S/c1-2-13-10(19)6-14-11(20)8-22-12-15-16-17-18(12)7-9-4-3-5-21-9/h9H,2-8H2,1H3,(H,13,19)(H,14,20)/t9-/m1/s1
InChIKeyLNUXJIKCTCFXJG-SECBINFHSA-N
XLogP-0.80
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (CID 9388520) is N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is CCNC(=O)CNC(=O)CSc1nnnn1C[C@H]1CCCO1.
What is the InChIKey of N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is LNUXJIKCTCFXJG-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N6O3S/c1-2-13-10(19)6-14-11(20)8-22-12-15-16-17-18(12)7-9-4-3-5-21-9/h9H,2-8H2,1H3,(H,13,19)(H,14,20)/t9-/m1/s1.
What are the key properties of N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 328.40 g/mol, XLogP of -0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 9388520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).