1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide

C11H22N2O3S — CID 120721075

IUPAC1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)NCC1CCNC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-11-3-1-2-6-16-11)13-8-10-4-5-12-7-10/h10-13H,1-9H2
InChIKeyIWNCSPYDSFIHAZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.08
Rot. Bonds5

About 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide

1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide (PubChem CID 120721075) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
PubChem CID120721075
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCCO1)NCC1CCNC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,9-11-3-1-2-6-16-11)13-8-10-4-5-12-7-10/h10-13H,1-9H2
InChIKeyIWNCSPYDSFIHAZ-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-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
1-(oxan-2-yl)-N-[(3R)-piperidin-3-yl]methanesulfonamide
CID 120723774
1-cyclobutyl-N-(1,4-oxazepan-2-ylmethyl)methanesulfonamide
CID 128845558
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117
N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
CID 126844630
N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide (CID 120721075) is 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide is O=S(=O)(CC1CCCCO1)NCC1CCNC1.
What is the InChIKey of 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide?
The InChIKey is IWNCSPYDSFIHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,9-11-3-1-2-6-16-11)13-8-10-4-5-12-7-10/h10-13H,1-9H2.
What are the key properties of 1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide?
1-(oxan-2-yl)-N-(pyrrolidin-3-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-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 120721075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).