5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide

C14H23N3O5S — CID 56803099

IUPAC5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCCC(O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1
InChIInChI=1S/C14H23N3O5S/c1-3-11(18)10-16-6-8-17(9-7-16)14(19)12-4-5-13(22-12)23(20,21)15-2/h4-5,11,15,18H,3,6-10H2,1-2H3
InChIKeyPYSIBYVKNFGPAK-UHFFFAOYSA-N
MW345.42 g/mol
LogP-0.28
Rot. Bonds6

About 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide

5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide (PubChem CID 56803099) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
PubChem CID56803099
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
SMILESCCC(O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1
InChIInChI=1S/C14H23N3O5S/c1-3-11(18)10-16-6-8-17(9-7-16)14(19)12-4-5-13(22-12)23(20,21)15-2/h4-5,11,15,18H,3,6-10H2,1-2H3
InChIKeyPYSIBYVKNFGPAK-UHFFFAOYSA-N
XLogP-0.28
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-chlorofuran-2-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95346804
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
CID 55647946
N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide (CID 56803099) is 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide is CCC(O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1.
What is the InChIKey of 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
The InChIKey is PYSIBYVKNFGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-3-11(18)10-16-6-8-17(9-7-16)14(19)12-4-5-13(22-12)23(20,21)15-2/h4-5,11,15,18H,3,6-10H2,1-2H3.
What are the key properties of 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide?
5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 56803099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).