N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C10H17N5O3S2 — CID 9263975

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O3S2/c1-3-15(8-4-5-20(17,18)7-8)9(16)6-19-10-11-12-13-14(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCDKFAJXOYDMROR-MRVPVSSYSA-N
MW319.41 g/mol
LogP-0.66
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 9263975) has the molecular formula C10H17N5O3S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID9263975
Molecular FormulaC10H17N5O3S2
Molecular Weight319.41 g/mol
Exact Mass319.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O3S2/c1-3-15(8-4-5-20(17,18)7-8)9(16)6-19-10-11-12-13-14(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCDKFAJXOYDMROR-MRVPVSSYSA-N
XLogP-0.66
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 9263975) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCN(C(=O)CSc1nnnn1C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CDKFAJXOYDMROR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N5O3S2/c1-3-15(8-4-5-20(17,18)7-8)9(16)6-19-10-11-12-13-14(10)2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 319.41 g/mol, XLogP of -0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9263975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).