N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide

C18H35N3OS — CID 124842311

IUPACN-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
SMILESCC(C)SCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3OS/c1-15(2)23-12-11-20-7-9-21(10-8-20)14-18(22)19-17-6-4-5-16(3)13-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyBZOIXJMQVYGCGZ-DLBZAZTESA-N
MW341.57 g/mol
LogP2.44
Rot. Bonds7

About N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide

N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide (PubChem CID 124842311) has the molecular formula C18H35N3OS and a molecular weight of 341.57 g/mol. Its IUPAC name is N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
PubChem CID124842311
Molecular FormulaC18H35N3OS
Molecular Weight341.57 g/mol
Exact Mass341.25
IUPAC NameN-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
SMILESCC(C)SCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
InChIInChI=1S/C18H35N3OS/c1-15(2)23-12-11-20-7-9-21(10-8-20)14-18(22)19-17-6-4-5-16(3)13-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyBZOIXJMQVYGCGZ-DLBZAZTESA-N
XLogP2.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
CID 86901724
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-(4-aminopentanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 120565362
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-(1-methylsulfonylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 97254979
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide (CID 124842311) is N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide is CC(C)SCCN1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1.
What is the InChIKey of N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide?
The InChIKey is BZOIXJMQVYGCGZ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H35N3OS/c1-15(2)23-12-11-20-7-9-21(10-8-20)14-18(22)19-17-6-4-5-16(3)13-17/h15-17H,4-14H2,1-3H3,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide?
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide has a molecular weight of 341.57 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 124842311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).