N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide

C12H24N2O3S — CID 166653024

IUPACN-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide
SMILESCC1(S(=O)(=O)NN2CCC[C@@H]2CO)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-12(7-3-2-4-8-12)18(16,17)13-14-9-5-6-11(14)10-15/h11,13,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyNDJKVGIZTGCVKN-LLVKDONJSA-N
MW276.40 g/mol
LogP1.00
Rot. Bonds4

About N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide

N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide (PubChem CID 166653024) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide
PubChem CID166653024
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide
SMILESCC1(S(=O)(=O)NN2CCC[C@@H]2CO)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-12(7-3-2-4-8-12)18(16,17)13-14-9-5-6-11(14)10-15/h11,13,15H,2-10H2,1H3/t11-/m1/s1
InChIKeyNDJKVGIZTGCVKN-LLVKDONJSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide (CID 166653024) is N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide is CC1(S(=O)(=O)NN2CCC[C@@H]2CO)CCCCC1.
What is the InChIKey of N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide?
The InChIKey is NDJKVGIZTGCVKN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-12(7-3-2-4-8-12)18(16,17)13-14-9-5-6-11(14)10-15/h11,13,15H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide?
N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylcyclohexane-1-sulfonamide is sourced from PubChem (CID 166653024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).