N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C13H23N5O3S2 — CID 24520371

IUPACN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCC(C)N(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23N5O3S2/c1-4-10(3)18(11-6-7-23(20,21)9-11)12(19)8-22-13-14-15-16-17(13)5-2/h10-11H,4-9H2,1-3H3
InChIKeyOSNPVKWGHNCRNK-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.60
Rot. Bonds7

About N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 24520371) has the molecular formula C13H23N5O3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID24520371
Molecular FormulaC13H23N5O3S2
Molecular Weight361.49 g/mol
Exact Mass361.12
IUPAC NameN-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCC(C)N(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H23N5O3S2/c1-4-10(3)18(11-6-7-23(20,21)9-11)12(19)8-22-13-14-15-16-17(13)5-2/h10-11H,4-9H2,1-3H3
InChIKeyOSNPVKWGHNCRNK-UHFFFAOYSA-N
XLogP0.60
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 24520371) is N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCC(C)N(C(=O)CSc1nnnn1CC)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OSNPVKWGHNCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S2/c1-4-10(3)18(11-6-7-23(20,21)9-11)12(19)8-22-13-14-15-16-17(13)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 361.49 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 24520371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).