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

C11H18N6O3S — CID 9388535

IUPACN-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCNC(=O)CNC(=O)CSc1nnnn1C[C@@H]1CCCO1
InChIInChI=1S/C11H18N6O3S/c1-12-9(18)5-13-10(19)7-21-11-14-15-16-17(11)6-8-3-2-4-20-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19)/t8-/m0/s1
InChIKeyNJVHKFIHNNERBG-QMMMGPOBSA-N
MW314.37 g/mol
LogP-1.19
Rot. Bonds7

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

N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (PubChem CID 9388535) has the molecular formula C11H18N6O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
PubChem CID9388535
Molecular FormulaC11H18N6O3S
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC NameN-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide
SMILESCNC(=O)CNC(=O)CSc1nnnn1C[C@@H]1CCCO1
InChIInChI=1S/C11H18N6O3S/c1-12-9(18)5-13-10(19)7-21-11-14-15-16-17(11)6-8-3-2-4-20-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19)/t8-/m0/s1
InChIKeyNJVHKFIHNNERBG-QMMMGPOBSA-N
XLogP-1.19
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide (CID 9388535) is N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is CNC(=O)CNC(=O)CSc1nnnn1C[C@@H]1CCCO1.
What is the InChIKey of N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is NJVHKFIHNNERBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N6O3S/c1-12-9(18)5-13-10(19)7-21-11-14-15-16-17(11)6-8-3-2-4-20-8/h8H,2-7H2,1H3,(H,12,18)(H,13,19)/t8-/m0/s1.
What are the key properties of N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide?
N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 314.37 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 9388535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).