1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide

C11H22N2O3S — CID 128845558

IUPAC1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCC1)NCC1CNCCCO1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-10-3-1-4-10)13-8-11-7-12-5-2-6-16-11/h10-13H,1-9H2
InChIKeyKBNJJYQLCXKZEX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.08
Rot. Bonds5

About 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide

1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide (PubChem CID 128845558) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
PubChem CID128845558
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCC1)NCC1CNCCCO1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-10-3-1-4-10)13-8-11-7-12-5-2-6-16-11/h10-13H,1-9H2
InChIKeyKBNJJYQLCXKZEX-UHFFFAOYSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
1-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 114955890
4-nitro-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 165494024
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117
N-(morpholin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593928
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide (CID 128845558) is 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCC1)NCC1CNCCCO1.
What is the InChIKey of 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide?
The InChIKey is KBNJJYQLCXKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,9-10-3-1-4-10)13-8-11-7-12-5-2-6-16-11/h10-13H,1-9H2.
What are the key properties of 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide?
1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 128845558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).