N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide

C21H33N3O3S — CID 68618268

IUPACN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H33N3O3S/c1-22(28(25,26)24-12-4-5-13-24)16-19-14-21(15-19)27-20-8-6-18(7-9-20)17-23-10-2-3-11-23/h6-9,19,21H,2-5,10-17H2,1H3
InChIKeySXLNAQHZUYYPQP-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.71
Rot. Bonds8

About N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide

N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 68618268) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide
PubChem CID68618268
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide
SMILESCN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C21H33N3O3S/c1-22(28(25,26)24-12-4-5-13-24)16-19-14-21(15-19)27-20-8-6-18(7-9-20)17-23-10-2-3-11-23/h6-9,19,21H,2-5,10-17H2,1H3
InChIKeySXLNAQHZUYYPQP-UHFFFAOYSA-N
XLogP2.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylpiperidine-1-sulfonamide
CID 68619498
1-[(4-cyclopentyloxyphenyl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91773142
N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyridine-3-carboxamide
CID 68619075
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylnaphthalene-1-sulfonamide
CID 68633153
2-chloro-N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 68619360
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 68620052
methyl 2-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylsulfamoyl]benzoate
CID 68618191
[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;methylcyclopropane
CID 68619466
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 68618622
N-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-4-fluoro-N-methylbenzamide
CID 15985298
3-(2-chlorophenyl)-1-[[3-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 15985075

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide (CID 68618268) is N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide is CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is SXLNAQHZUYYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-22(28(25,26)24-12-4-5-13-24)16-19-14-21(15-19)27-20-8-6-18(7-9-20)17-23-10-2-3-11-23/h6-9,19,21H,2-5,10-17H2,1H3.
What are the key properties of N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide?
N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 407.58 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 68618268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).