N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

C12H25NO3S — CID 153298494

IUPACN-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyGTEXHTAZZAJRFJ-GFCCVEGCSA-N
MW263.40 g/mol
LogP1.60
Rot. Bonds7

About N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide

N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (PubChem CID 153298494) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
PubChem CID153298494
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide
SMILESCC(C)C[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m1/s1
InChIKeyGTEXHTAZZAJRFJ-GFCCVEGCSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide (CID 153298494) is N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is CC(C)C[C@H](CO)N(C1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
The InChIKey is GTEXHTAZZAJRFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(2)7-12(8-14)13(11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide?
N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 153298494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).