N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide

C17H23N3O2S — CID 56902915

IUPACN-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
SMILESCc1ccccc1SCC(=O)N1CCNCC1C(=O)NC1CC1
InChIInChI=1S/C17H23N3O2S/c1-12-4-2-3-5-15(12)23-11-16(21)20-9-8-18-10-14(20)17(22)19-13-6-7-13/h2-5,13-14,18H,6-11H2,1H3,(H,19,22)
InChIKeyGOHJOCTWGISWHJ-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.17
Rot. Bonds5

About N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide

N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide (PubChem CID 56902915) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
PubChem CID56902915
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
SMILESCc1ccccc1SCC(=O)N1CCNCC1C(=O)NC1CC1
InChIInChI=1S/C17H23N3O2S/c1-12-4-2-3-5-15(12)23-11-16(21)20-9-8-18-10-14(20)17(22)19-13-6-7-13/h2-5,13-14,18H,6-11H2,1H3,(H,19,22)
InChIKeyGOHJOCTWGISWHJ-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 95724884
(2S)-N-cyclopropyl-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 95721031
(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
CID 95725760
(2R)-1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95724941
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 70778374
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
1-[4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119560859
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(4-bromo-2-methylphenyl)sulfanyl-1-(2-methylpiperazin-1-yl)ethanone
CID 119470906
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
(2R)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707096
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide (CID 56902915) is N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide is Cc1ccccc1SCC(=O)N1CCNCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide?
The InChIKey is GOHJOCTWGISWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-4-2-3-5-15(12)23-11-16(21)20-9-8-18-10-14(20)17(22)19-13-6-7-13/h2-5,13-14,18H,6-11H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide?
N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide is sourced from PubChem (CID 56902915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).