N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide

C11H22N2O3S — CID 107172917

IUPACN-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCCNCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-11-4-2-8-16-11)13-10-3-1-6-12-7-5-10/h10-13H,1-9H2
InChIKeyCIWAGGGENVRLSS-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.23
Rot. Bonds4

About N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide

N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 107172917) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID107172917
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCCNCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-11-4-2-8-16-11)13-10-3-1-6-12-7-5-10/h10-13H,1-9H2
InChIKeyCIWAGGGENVRLSS-UHFFFAOYSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
N-(1-azaspiro[5.5]undecan-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246959
methyl 4-(oxolan-2-ylmethylsulfonylamino)cyclohexane-1-carboxylate
CID 115617300
N-(3-aminocyclobutyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120663977
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117
1-(oxan-2-yl)-N-(1-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119970218
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
N-(azepan-4-yl)cyclopentanesulfonamide
CID 107172836

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide (CID 107172917) is N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is CIWAGGGENVRLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,9-11-4-2-8-16-11)13-10-3-1-6-12-7-5-10/h10-13H,1-9H2.
What are the key properties of N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide?
N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 107172917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).