N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide

C15H20N2O2S — CID 3240658

IUPACN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)16-10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17-15/h7-9,16-17H,2-6,10H2,1H3
InChIKeyKKEJPSFQYBBTFF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.49
Rot. Bonds4

About N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide (PubChem CID 3240658) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide
PubChem CID3240658
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)16-10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17-15/h7-9,16-17H,2-6,10H2,1H3
InChIKeyKKEJPSFQYBBTFF-UHFFFAOYSA-N
XLogP2.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide (CID 3240658) is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide?
The InChIKey is KKEJPSFQYBBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-20(18,19)16-10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)17-15/h7-9,16-17H,2-6,10H2,1H3.
What are the key properties of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide?
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 3240658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).