N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

C8H17NO3S — CID 19916368

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9(13(2,11)12)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQWMQCDGQFCODBD-HTQZYQBOSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (PubChem CID 19916368) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
PubChem CID19916368
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-9(13(2,11)12)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyQWMQCDGQFCODBD-HTQZYQBOSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (CID 19916368) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is CN([C@@H]1CCCC[C@H]1O)S(C)(=O)=O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The InChIKey is QWMQCDGQFCODBD-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-9(13(2,11)12)7-5-3-4-6-8(7)10/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 19916368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).