2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide

C18H24N6OS — CID 35301691

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N6OS/c25-17(19-15-8-10-23(11-9-15)16-6-7-16)13-26-18-20-21-22-24(18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,25)
InChIKeySRCBLMCBCYEHJL-UHFFFAOYSA-N
MW372.50 g/mol
LogP1.56
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 35301691) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID35301691
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESO=C(CSc1nnnn1Cc1ccccc1)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N6OS/c25-17(19-15-8-10-23(11-9-15)16-6-7-16)13-26-18-20-21-22-24(18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,25)
InChIKeySRCBLMCBCYEHJL-UHFFFAOYSA-N
XLogP1.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204401
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
N-cyclopropyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 47138151
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46640476
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 17392960
N-cycloheptyl-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 42140432
N-(1-benzylpyrrolidin-3-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 17479895
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917117
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8917123

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 35301691) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide is O=C(CSc1nnnn1Cc1ccccc1)NC1CCN(C2CC2)CC1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is SRCBLMCBCYEHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c25-17(19-15-8-10-23(11-9-15)16-6-7-16)13-26-18-20-21-22-24(18)12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,19,25).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 372.50 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 35301691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).