1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine

C20H33N3OS — CID 77097347

IUPAC1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(Cc3ccc(SC4CCCCC4)o3)C2)CC1
InChIInChI=1S/C20H33N3OS/c1-21-11-13-23(14-12-21)17-9-10-22(15-17)16-18-7-8-20(24-18)25-19-5-3-2-4-6-19/h7-8,17,19H,2-6,9-16H2,1H3
InChIKeyBLAIDAYKWLAPAM-UHFFFAOYSA-N
MW363.57 g/mol
LogP3.53
Rot. Bonds5

About 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine

1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine (PubChem CID 77097347) has the molecular formula C20H33N3OS and a molecular weight of 363.57 g/mol. Its IUPAC name is 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
PubChem CID77097347
Molecular FormulaC20H33N3OS
Molecular Weight363.57 g/mol
Exact Mass363.23
IUPAC Name1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(Cc3ccc(SC4CCCCC4)o3)C2)CC1
InChIInChI=1S/C20H33N3OS/c1-21-11-13-23(14-12-21)17-9-10-22(15-17)16-18-7-8-20(24-18)25-19-5-3-2-4-6-19/h7-8,17,19H,2-6,9-16H2,1H3
InChIKeyBLAIDAYKWLAPAM-UHFFFAOYSA-N
XLogP3.53
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 77094868
[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 63167064
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
2-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925763
[(3R,5S)-1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133134512
(9aS)-2-[(5-ethylfuran-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 77093175
N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131894249
(5S)-2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97139743
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine (CID 77097347) is 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine is CN1CCN(C2CCN(Cc3ccc(SC4CCCCC4)o3)C2)CC1.
What is the InChIKey of 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
The InChIKey is BLAIDAYKWLAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3OS/c1-21-11-13-23(14-12-21)17-9-10-22(15-17)16-18-7-8-20(24-18)25-19-5-3-2-4-6-19/h7-8,17,19H,2-6,9-16H2,1H3.
What are the key properties of 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine?
1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine has a molecular weight of 363.57 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]pyrrolidin-3-yl]-4-methylpiperazine is sourced from PubChem (CID 77097347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).