5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde

C20H26N2O3S — CID 3755055

IUPAC5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12
InChIInChI=1S/C20H26N2O3S/c23-14-18-17-13-16(26(24,25)22-11-5-1-2-6-12-22)9-10-19(17)21-20(18)15-7-3-4-8-15/h9-10,13-15,21H,1-8,11-12H2
InChIKeyUCSXBMTZTPOOII-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.20
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde

5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde (PubChem CID 3755055) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
PubChem CID3755055
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CCCC2)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12
InChIInChI=1S/C20H26N2O3S/c23-14-18-17-13-16(26(24,25)22-11-5-1-2-6-12-22)9-10-19(17)21-20(18)15-7-3-4-8-15/h9-10,13-15,21H,1-8,11-12H2
InChIKeyUCSXBMTZTPOOII-UHFFFAOYSA-N
XLogP4.20
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 4683666
2-(1-adamantyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3617739
2-(4-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3842610
5-(azepan-1-ylsulfonyl)-2-(3,4-difluorophenyl)-1H-indole-3-carbaldehyde
CID 3765830
2-(2,4-difluorophenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3807724
2-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3415551
2-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3752137
2-(4-methoxy-3-methylphenyl)-5-piperidin-1-ylsulfonyl-1H-indole-3-carbaldehyde
CID 3601736
[5-(azepan-1-ylsulfonyl)-3-methyl-1H-indol-2-yl]-piperidin-1-ylmethanone
CID 11574955
2-(2-methyl-5-piperidin-1-ylsulfonyl-1H-indol-3-yl)ethanamine
CID 4260015
2-cyclobutyl-4-pyrrolidin-1-ylsulfonylaniline
CID 135350611
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde (CID 3755055) is 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde is O=Cc1c(C2CCCC2)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde?
The InChIKey is UCSXBMTZTPOOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c23-14-18-17-13-16(26(24,25)22-11-5-1-2-6-12-22)9-10-19(17)21-20(18)15-7-3-4-8-15/h9-10,13-15,21H,1-8,11-12H2.
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde?
5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde has a molecular weight of 374.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-cyclopentyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3755055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).