N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide

C11H16N4O2S — CID 98778833

IUPACN-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
SMILESCc1cnc(N2C[C@@H]3C(NS(C)(=O)=O)[C@@H]3C2)nc1
InChIInChI=1S/C11H16N4O2S/c1-7-3-12-11(13-4-7)15-5-8-9(6-15)10(8)14-18(2,16)17/h3-4,8-10,14H,5-6H2,1-2H3/t8-,9+,10?
InChIKeyRXHZZXYWMFUZAY-ULKQDVFKSA-N
MW268.34 g/mol
LogP-0.23
Rot. Bonds3

About N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide

N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide (PubChem CID 98778833) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
PubChem CID98778833
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide
SMILESCc1cnc(N2C[C@@H]3C(NS(C)(=O)=O)[C@@H]3C2)nc1
InChIInChI=1S/C11H16N4O2S/c1-7-3-12-11(13-4-7)15-5-8-9(6-15)10(8)14-18(2,16)17/h3-4,8-10,14H,5-6H2,1-2H3/t8-,9+,10?
InChIKeyRXHZZXYWMFUZAY-ULKQDVFKSA-N
XLogP-0.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide?
The IUPAC name of N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide (CID 98778833) is N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide.
What is the SMILES notation for N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide?
The canonical SMILES for N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide is Cc1cnc(N2C[C@@H]3C(NS(C)(=O)=O)[C@@H]3C2)nc1.
What is the InChIKey of N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide?
The InChIKey is RXHZZXYWMFUZAY-ULKQDVFKSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7-3-12-11(13-4-7)15-5-8-9(6-15)10(8)14-18(2,16)17/h3-4,8-10,14H,5-6H2,1-2H3/t8-,9+,10?.
What are the key properties of N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide?
N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(5-methylpyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanesulfonamide is sourced from PubChem (CID 98778833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).