2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide

C18H30N6O3S — CID 55642231

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H30N6O3S/c25-17(13-28-18-20-21-22-24(18)15-3-1-2-4-15)19-11-16(14-5-8-27-12-14)23-6-9-26-10-7-23/h14-16H,1-13H2,(H,19,25)
InChIKeySGAGVJIXCDPNEC-UHFFFAOYSA-N
MW410.54 g/mol
LogP0.73
Rot. Bonds8

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide (PubChem CID 55642231) has the molecular formula C18H30N6O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
PubChem CID55642231
Molecular FormulaC18H30N6O3S
Molecular Weight410.54 g/mol
Exact Mass410.21
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C18H30N6O3S/c25-17(13-28-18-20-21-22-24(18)15-3-1-2-4-15)19-11-16(14-5-8-27-12-14)23-6-9-26-10-7-23/h14-16H,1-13H2,(H,19,25)
InChIKeySGAGVJIXCDPNEC-UHFFFAOYSA-N
XLogP0.73
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755328
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 39988474
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylacetic acid
CID 43610496
N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094172
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 55526730
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693488
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107842
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2S)-2-phenylbutyl]acetamide
CID 27096825
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide (CID 55642231) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide is O=C(CSc1nnnn1C1CCCC1)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide?
The InChIKey is SGAGVJIXCDPNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3S/c25-17(13-28-18-20-21-22-24(18)15-3-1-2-4-15)19-11-16(14-5-8-27-12-14)23-6-9-26-10-7-23/h14-16H,1-13H2,(H,19,25).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide is sourced from PubChem (CID 55642231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).