N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide

C12H25NO3S — CID 153298383

IUPACN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide
SMILESCC(C)[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)12(8-14)13(7-11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyIBSTYFXFWGEAQC-LBPRGKRZSA-N
MW263.40 g/mol
LogP1.45
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide

N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide (PubChem CID 153298383) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide
PubChem CID153298383
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide
SMILESCC(C)[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C
InChIInChI=1S/C12H25NO3S/c1-9(2)12(8-14)13(7-11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1
InChIKeyIBSTYFXFWGEAQC-LBPRGKRZSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide (CID 153298383) is N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide is CC(C)[C@H](CO)N(CC1CC1)S(=O)(=O)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide?
The InChIKey is IBSTYFXFWGEAQC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(2)12(8-14)13(7-11-5-6-11)17(15,16)10(3)4/h9-12,14H,5-8H2,1-4H3/t12-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide?
N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 153298383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).