2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C15H20N6OS — CID 51097969

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(Sc1nnnn1C1CC1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H20N6OS/c1-10(2)13(14(22)17-9-11-4-3-7-16-8-11)23-15-18-19-20-21(15)12-5-6-12/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3,(H,17,22)
InChIKeyWPLFUWHVRVPSHC-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.84
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 51097969) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID51097969
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(Sc1nnnn1C1CC1)C(=O)NCc1cccnc1
InChIInChI=1S/C15H20N6OS/c1-10(2)13(14(22)17-9-11-4-3-7-16-8-11)23-15-18-19-20-21(15)12-5-6-12/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3,(H,17,22)
InChIKeyWPLFUWHVRVPSHC-UHFFFAOYSA-N
XLogP1.84
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52508769
(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 52510727
3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 47083681
(2R)-3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 52518088
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51097965
(2S)-N-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
3-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 51097964
(2R)-3-methyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 94341800
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51127851
(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514569
(2S)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514493

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 51097969) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)C(Sc1nnnn1C1CC1)C(=O)NCc1cccnc1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is WPLFUWHVRVPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-10(2)13(14(22)17-9-11-4-3-7-16-8-11)23-15-18-19-20-21(15)12-5-6-12/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3,(H,17,22).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 332.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 51097969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).