2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide

C10H16N6O2S — CID 70447351

IUPAC2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide
SMILESCn1nnnc1S[C@@H]1NC(=O)[C@H]1NC(=O)C(C)(C)C
InChIInChI=1S/C10H16N6O2S/c1-10(2,3)8(18)11-5-6(17)12-7(5)19-9-13-14-15-16(9)4/h5,7H,1-4H3,(H,11,18)(H,12,17)/t5-,7+/m1/s1
InChIKeyZRZRICVBWAGWCQ-VDTYLAMSSA-N
MW284.35 g/mol
LogP-0.71
Rot. Bonds3

About 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide

2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide (PubChem CID 70447351) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide
PubChem CID70447351
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide
SMILESCn1nnnc1S[C@@H]1NC(=O)[C@H]1NC(=O)C(C)(C)C
InChIInChI=1S/C10H16N6O2S/c1-10(2,3)8(18)11-5-6(17)12-7(5)19-9-13-14-15-16(9)4/h5,7H,1-4H3,(H,11,18)(H,12,17)/t5-,7+/m1/s1
InChIKeyZRZRICVBWAGWCQ-VDTYLAMSSA-N
XLogP-0.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide (CID 70447351) is 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide is Cn1nnnc1S[C@@H]1NC(=O)[C@H]1NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide?
The InChIKey is ZRZRICVBWAGWCQ-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-10(2,3)8(18)11-5-6(17)12-7(5)19-9-13-14-15-16(9)4/h5,7H,1-4H3,(H,11,18)(H,12,17)/t5-,7+/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide?
2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide has a molecular weight of 284.35 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S,3R)-2-(1-methyltetrazol-5-yl)sulfanyl-4-oxoazetidin-3-yl]propanamide is sourced from PubChem (CID 70447351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).