2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

C17H24N6O2S — CID 55526730

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H24N6O2S/c24-16(12-26-17-19-20-21-23(17)13-6-7-13)18-11-14(15-5-4-10-25-15)22-8-2-1-3-9-22/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,24)
InChIKeyGDIJUBCKWQIAHB-UHFFFAOYSA-N
MW376.49 g/mol
LogP2.04
Rot. Bonds8

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 55526730) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
PubChem CID55526730
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C17H24N6O2S/c24-16(12-26-17-19-20-21-23(17)13-6-7-13)18-11-14(15-5-4-10-25-15)22-8-2-1-3-9-22/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,24)
InChIKeyGDIJUBCKWQIAHB-UHFFFAOYSA-N
XLogP2.04
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide with MolForge

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 39988474
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 47124185
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 17413002
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 41271980
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 7780244
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 8005581
N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18161471
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39639994
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (CID 55526730) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is O=C(CSc1nnnn1C1CC1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is GDIJUBCKWQIAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c24-16(12-26-17-19-20-21-23(17)13-6-7-13)18-11-14(15-5-4-10-25-15)22-8-2-1-3-9-22/h4-5,10,13-14H,1-3,6-9,11-12H2,(H,18,24).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 376.49 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 55526730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).