(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide

C11H20N6O2S — CID 27046259

IUPAC(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H20N6O2S/c1-6(2)7(8(18)13-9(12)19)20-10-14-15-16-17(10)11(3,4)5/h6-7H,1-5H3,(H3,12,13,18,19)/t7-/m1/s1
InChIKeyWZYALWIEYFKJPX-SSDOTTSWSA-N
MW300.39 g/mol
LogP0.74
Rot. Bonds4

About (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide

(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide (PubChem CID 27046259) has the molecular formula C11H20N6O2S and a molecular weight of 300.39 g/mol. Its IUPAC name is (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
PubChem CID27046259
Molecular FormulaC11H20N6O2S
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide
SMILESCC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H20N6O2S/c1-6(2)7(8(18)13-9(12)19)20-10-14-15-16-17(10)11(3,4)5/h6-7H,1-5H3,(H3,12,13,18,19)/t7-/m1/s1
InChIKeyWZYALWIEYFKJPX-SSDOTTSWSA-N
XLogP0.74
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-carbamoyl-3-methyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylbutanamide
CID 9407764
(2S)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methylpropanamide
CID 9379297
(2R)-2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
CID 7455452
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7915698
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
N-carbamoyl-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide
CID 46676315
(2S)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888906
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 18101322
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40721416
(2S)-N-carbamoyl-2-(1-ethyltetrazol-5-yl)sulfanylpropanamide
CID 41236820
(2R)-N-carbamoyl-3-methyl-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 7427516

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide?
The IUPAC name of (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide (CID 27046259) is (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide?
The canonical SMILES for (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide is CC(C)[C@@H](Sc1nnnn1C(C)(C)C)C(=O)NC(N)=O.
What is the InChIKey of (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide?
The InChIKey is WZYALWIEYFKJPX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H20N6O2S/c1-6(2)7(8(18)13-9(12)19)20-10-14-15-16-17(10)11(3,4)5/h6-7H,1-5H3,(H3,12,13,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide?
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide has a molecular weight of 300.39 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 27046259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).