N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine

C15H20N2S — CID 3056093

IUPACN-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
SMILESCCSNCC1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C15H20N2S/c1-2-18-16-10-11-6-5-9-14-15(11)12-7-3-4-8-13(12)17-14/h3-4,7-8,11,16-17H,2,5-6,9-10H2,1H3
InChIKeyZZCIEOSXMMWLJO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.85
Rot. Bonds4

About N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine

N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine (PubChem CID 3056093) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine.

Molecular Properties

Compound NameN-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
PubChem CID3056093
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
SMILESCCSNCC1CCCc2[nH]c3ccccc3c21
InChIInChI=1S/C15H20N2S/c1-2-18-16-10-11-6-5-9-14-15(11)12-7-3-4-8-13(12)17-14/h3-4,7-8,11,16-17H,2,5-6,9-10H2,1H3
InChIKeyZZCIEOSXMMWLJO-UHFFFAOYSA-N
XLogP3.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The IUPAC name of N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine (CID 3056093) is N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine.
What is the SMILES notation for N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The canonical SMILES for N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine is CCSNCC1CCCc2[nH]c3ccccc3c21.
What is the InChIKey of N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
The InChIKey is ZZCIEOSXMMWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-18-16-10-11-6-5-9-14-15(11)12-7-3-4-8-13(12)17-14/h3-4,7-8,11,16-17H,2,5-6,9-10H2,1H3.
What are the key properties of N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine?
N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-1-(2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine is sourced from PubChem (CID 3056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).