1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide

C16H26N2O3S — CID 97078733

IUPAC1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCC1)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C16H26N2O3S/c19-22(20,13-14-6-4-7-14)17-12-15(16-8-5-11-21-16)18-9-2-1-3-10-18/h5,8,11,14-15,17H,1-4,6-7,9-10,12-13H2/t15-/m0/s1
InChIKeyJLWANUPDOCLGOL-HNNXBMFYSA-N
MW326.46 g/mol
LogP2.53
Rot. Bonds7

About 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide

1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide (PubChem CID 97078733) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
PubChem CID97078733
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCC1)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C16H26N2O3S/c19-22(20,13-14-6-4-7-14)17-12-15(16-8-5-11-21-16)18-9-2-1-3-10-18/h5,8,11,14-15,17H,1-4,6-7,9-10,12-13H2/t15-/m0/s1
InChIKeyJLWANUPDOCLGOL-HNNXBMFYSA-N
XLogP2.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]methanesulfonamide
CID 55245447
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-phenylethanesulfonamide
CID 112503410
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
N-(ethylsulfamoyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 110621642
N-[[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]sulfamoyl]propan-1-amine
CID 110621685
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 51330775
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111783999
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylsulfonylbenzenesulfonamide
CID 55559240
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide?
The IUPAC name of 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide (CID 97078733) is 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide?
The canonical SMILES for 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide is O=S(=O)(CC1CCC1)NC[C@@H](c1ccco1)N1CCCCC1.
What is the InChIKey of 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide?
The InChIKey is JLWANUPDOCLGOL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c19-22(20,13-14-6-4-7-14)17-12-15(16-8-5-11-21-16)18-9-2-1-3-10-18/h5,8,11,14-15,17H,1-4,6-7,9-10,12-13H2/t15-/m0/s1.
What are the key properties of 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide?
1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]methanesulfonamide is sourced from PubChem (CID 97078733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).