2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

C13H23N3S — CID 65140108

IUPAC2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3S/c1-14-13(11-8-15-16(2)9-11)10-17-12-6-4-3-5-7-12/h8-9,12-14H,3-7,10H2,1-2H3
InChIKeyHKBZCLNVPWHTKN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.75
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65140108) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65140108
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H23N3S/c1-14-13(11-8-15-16(2)9-11)10-17-12-6-4-3-5-7-12/h8-9,12-14H,3-7,10H2,1-2H3
InChIKeyHKBZCLNVPWHTKN-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
2-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485883
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130917
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
CID 114654108
2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114654096

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 65140108) is 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is CNC(CSC1CCCCC1)c1cnn(C)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is HKBZCLNVPWHTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-14-13(11-8-15-16(2)9-11)10-17-12-6-4-3-5-7-12/h8-9,12-14H,3-7,10H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65140108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).