1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide

C12H22N2O4S — CID 103522077

IUPAC1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
SMILESCOC1(CC(=O)N2CCCC(S(N)(=O)=O)C2)CCC1
InChIInChI=1S/C12H22N2O4S/c1-18-12(5-3-6-12)8-11(15)14-7-2-4-10(9-14)19(13,16)17/h10H,2-9H2,1H3,(H2,13,16,17)
InChIKeyQAWXCIHQFPWABO-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.23
Rot. Bonds4

About 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide

1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide (PubChem CID 103522077) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
PubChem CID103522077
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
SMILESCOC1(CC(=O)N2CCCC(S(N)(=O)=O)C2)CCC1
InChIInChI=1S/C12H22N2O4S/c1-18-12(5-3-6-12)8-11(15)14-7-2-4-10(9-14)19(13,16)17/h10H,2-9H2,1H3,(H2,13,16,17)
InChIKeyQAWXCIHQFPWABO-UHFFFAOYSA-N
XLogP0.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557253
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
(3S)-1-[2-(dimethylamino)acetyl]piperidine-3-sulfonamide
CID 129414224
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
1-(2-methoxypropanoyl)piperidine-3-sulfonamide
CID 115643260
1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680
1-(3-amino-3-methylazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558366
N'-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboximidamide
CID 103557944
N,N-diethyl-3-sulfamoylpiperidine-1-carboxamide
CID 79162189
tert-butyl 3-sulfamoylpiperidine-1-carboxylate
CID 122702227
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
CID 129414298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide (CID 103522077) is 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide is COC1(CC(=O)N2CCCC(S(N)(=O)=O)C2)CCC1.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide?
The InChIKey is QAWXCIHQFPWABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-18-12(5-3-6-12)8-11(15)14-7-2-4-10(9-14)19(13,16)17/h10H,2-9H2,1H3,(H2,13,16,17).
What are the key properties of 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide?
1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 103522077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).