N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

C19H29N5OS — CID 27094172

IUPACN-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N5OS/c25-17(11-26-18-21-22-23-24(18)16-3-1-2-4-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,1-12H2,(H,20,25)
InChIKeySKQJNNQZHMUDKA-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.21
Rot. Bonds6

About N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 27094172) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID27094172
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC NameN-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCC1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29N5OS/c25-17(11-26-18-21-22-23-24(18)16-3-1-2-4-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,1-12H2,(H,20,25)
InChIKeySKQJNNQZHMUDKA-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55541677
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751551
N-(1-adamantylmethyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7661042
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 51287399
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 35493834
N-(1-adamantylmethyl)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 8860480
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 27094172) is N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCC1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is SKQJNNQZHMUDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c25-17(11-26-18-21-22-23-24(18)16-3-1-2-4-16)20-12-19-8-13-5-14(9-19)7-15(6-13)10-19/h13-16H,1-12H2,(H,20,25).
What are the key properties of N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 375.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 27094172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).