N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide

C23H27N3OS — CID 155258130

IUPACN-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
SMILESO=S(Nc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C1CCC1
InChIInChI=1S/C23H27N3OS/c27-28(21-7-4-8-21)25-20-6-3-5-17(13-20)18-11-12-26(15-18)16-19-14-24-23-10-2-1-9-22(19)23/h1-3,5-6,9-10,13-14,18,21,24-25H,4,7-8,11-12,15-16H2
InChIKeyKUCUUUAVIRBBIU-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.79
Rot. Bonds6

About N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide

N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide (PubChem CID 155258130) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide.

Molecular Properties

Compound NameN-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
PubChem CID155258130
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide
SMILESO=S(Nc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C1CCC1
InChIInChI=1S/C23H27N3OS/c27-28(21-7-4-8-21)25-20-6-3-5-17(13-20)18-11-12-26(15-18)16-19-14-24-23-10-2-1-9-22(19)23/h1-3,5-6,9-10,13-14,18,21,24-25H,4,7-8,11-12,15-16H2
InChIKeyKUCUUUAVIRBBIU-UHFFFAOYSA-N
XLogP4.79
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]-1,3-oxazole-2-sulfonamide
CID 155258102
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]-1,3-oxazole-5-sulfonamide
CID 155258209
3-[[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole
CID 155258071
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenethiol
CID 155258161
4-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 155258244
deuterioethane;3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[[3-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole;tribromoborane
CID 158056167
3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 127247080
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
3-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1H-indole
CID 124970706
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide?
The IUPAC name of N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide (CID 155258130) is N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide.
What is the SMILES notation for N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide?
The canonical SMILES for N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide is O=S(Nc1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C1CCC1.
What is the InChIKey of N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide?
The InChIKey is KUCUUUAVIRBBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c27-28(21-7-4-8-21)25-20-6-3-5-17(13-20)18-11-12-26(15-18)16-19-14-24-23-10-2-1-9-22(19)23/h1-3,5-6,9-10,13-14,18,21,24-25H,4,7-8,11-12,15-16H2.
What are the key properties of N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide?
N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide has a molecular weight of 393.56 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenyl]cyclobutanesulfinamide is sourced from PubChem (CID 155258130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).