3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline

C10H13FN2S — CID 177198660

IUPAC3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)c(SNC2CC2)c1
InChIInChI=1S/C10H13FN2S/c1-12-8-4-5-9(11)10(6-8)14-13-7-2-3-7/h4-7,12-13H,2-3H2,1H3
InChIKeyAZTQOJXNPLNHDC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds4

About 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline

3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline (PubChem CID 177198660) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline
PubChem CID177198660
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline
SMILESCNc1ccc(F)c(SNC2CC2)c1
InChIInChI=1S/C10H13FN2S/c1-12-8-4-5-9(11)10(6-8)14-13-7-2-3-7/h4-7,12-13H,2-3H2,1H3
InChIKeyAZTQOJXNPLNHDC-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-methylaniline;methanimine
CID 144600669
3,4-difluoro-N-methylaniline;ethane
CID 143398651
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
3-(difluoromethyl)-N-methyl-4-methylsulfanylaniline
CID 156803142
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
4-fluoro-3-(fluoromethyl)-N-methylaniline
CID 118176037
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663
3-(aminomethyl)-4-fluoro-N-methylaniline
CID 82502624
[2-fluoro-4-(methylamino)phenyl]methanethiol
CID 176555737
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline?
The IUPAC name of 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline (CID 177198660) is 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline.
What is the SMILES notation for 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline?
The canonical SMILES for 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline is CNc1ccc(F)c(SNC2CC2)c1.
What is the InChIKey of 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline?
The InChIKey is AZTQOJXNPLNHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-12-8-4-5-9(11)10(6-8)14-13-7-2-3-7/h4-7,12-13H,2-3H2,1H3.
What are the key properties of 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline?
3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline has a molecular weight of 212.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)sulfanyl-4-fluoro-N-methylaniline is sourced from PubChem (CID 177198660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).