4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline

C10H17N3S — CID 115260655

IUPAC4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
SMILESCCSc1ccc(N(C)CNN)cc1
InChIInChI=1S/C10H17N3S/c1-3-14-10-6-4-9(5-7-10)13(2)8-12-11/h4-7,12H,3,8,11H2,1-2H3
InChIKeyYADAYUHRTAAJJF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.66
Rot. Bonds5

About 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline

4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline (PubChem CID 115260655) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
PubChem CID115260655
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
SMILESCCSc1ccc(N(C)CNN)cc1
InChIInChI=1S/C10H17N3S/c1-3-14-10-6-4-9(5-7-10)13(2)8-12-11/h4-7,12H,3,8,11H2,1-2H3
InChIKeyYADAYUHRTAAJJF-UHFFFAOYSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260989
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260561
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
1-(4-ethylsulfanylphenyl)-N',N'-dimethylmethanediamine
CID 116909120
3-N-(4-ethylsulfanylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117040923
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(4-ethylsulfanylphenyl)methanamine
CID 12842467
N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165672

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline?
The IUPAC name of 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline (CID 115260655) is 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline.
What is the SMILES notation for 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline?
The canonical SMILES for 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline is CCSc1ccc(N(C)CNN)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline?
The InChIKey is YADAYUHRTAAJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-14-10-6-4-9(5-7-10)13(2)8-12-11/h4-7,12H,3,8,11H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline?
4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline has a molecular weight of 211.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline is sourced from PubChem (CID 115260655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).