N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine

C21H24N2O2S — CID 24861192

IUPACN-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2
InChIKeyHTHJJCBRKUSTFT-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine

N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine (PubChem CID 24861192) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine
PubChem CID24861192
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12
InChIInChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2
InChIKeyHTHJJCBRKUSTFT-UHFFFAOYSA-N
XLogP4.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine (CID 24861192) is N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine is O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCNC3CCCC3)c12.
What is the InChIKey of N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine?
The InChIKey is HTHJJCBRKUSTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2.
What are the key properties of N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine?
N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine has a molecular weight of 368.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(benzenesulfonyl)-1H-indol-4-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 24861192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).