N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine

C10H19N3S — CID 103130891

IUPACN-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(CSCC)c1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-4-11-10(8-14-5-2)9-6-7-13(3)12-9/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyAWGHBOJUZLBAOF-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.82
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine

N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103130891) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103130891
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(CSCC)c1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-4-11-10(8-14-5-2)9-6-7-13(3)12-9/h6-7,10-11H,4-5,8H2,1-3H3
InChIKeyAWGHBOJUZLBAOF-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
N-ethyl-1-(1-methylpyrazol-3-yl)pent-3-yn-1-amine
CID 65200857
N-ethyl-N',N'-dimethyl-1-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103131264
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-ethyl-1-(1-methylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 103134564
2-(2,4-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200540
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
3-[bis(ethylsulfanyl)methyl]-1-methylpyrazole
CID 3548225
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine (CID 103130891) is N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine is CCNC(CSCC)c1ccn(C)n1.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is AWGHBOJUZLBAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-11-10(8-14-5-2)9-6-7-13(3)12-9/h6-7,10-11H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine?
N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 213.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103130891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).