2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

C13H23N3S — CID 103130917

IUPAC2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1ccn(C)n1
InChIInChI=1S/C13H23N3S/c1-14-13(12-8-9-16(2)15-12)10-17-11-6-4-3-5-7-11/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyVBESDVVAVDFXIT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.75
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine

2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103130917) 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-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103130917
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1ccn(C)n1
InChIInChI=1S/C13H23N3S/c1-14-13(12-8-9-16(2)15-12)10-17-11-6-4-3-5-7-11/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyVBESDVVAVDFXIT-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-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65140108
1-cyclohexylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869370
N,N',N'-trimethyl-1-(1-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103131116
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 103130917) is 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine is CNC(CSC1CCCCC1)c1ccn(C)n1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is VBESDVVAVDFXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-14-13(12-8-9-16(2)15-12)10-17-11-6-4-3-5-7-11/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine?
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-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-3-yl)ethanamine is sourced from PubChem (CID 103130917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).