2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

C11H21N3S — CID 65128079

IUPAC2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSCC)NC
InChIInChI=1S/C11H21N3S/c1-4-8-14-11(6-7-13-14)10(12-3)9-15-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyXDSWBJZSLGQEQQ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.31
Rot. Bonds7

About 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine

2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 65128079) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID65128079
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSCC)NC
InChIInChI=1S/C11H21N3S/c1-4-8-14-11(6-7-13-14)10(12-3)9-15-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyXDSWBJZSLGQEQQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
2-(3-chlorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66146843
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
2-(3-fluorophenyl)sulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 66070427
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-3-ylethanamine
CID 63977457
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 105148148
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475633
2-(2-chloro-6-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974493

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine (CID 65128079) is 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(CSCC)NC.
What is the InChIKey of 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is XDSWBJZSLGQEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-8-14-11(6-7-13-14)10(12-3)9-15-5-2/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine?
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65128079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).