N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide

C10H23NO3S — CID 103916497

IUPACN-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-9(12)8-11(5)15(13,14)7-6-10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyVDJMYDMYPFUOJY-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.07
Rot. Bonds5

About N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide

N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide (PubChem CID 103916497) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
PubChem CID103916497
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H23NO3S/c1-9(12)8-11(5)15(13,14)7-6-10(2,3)4/h9,12H,6-8H2,1-5H3
InChIKeyVDJMYDMYPFUOJY-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide (CID 103916497) is N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide is CC(O)CN(C)S(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
The InChIKey is VDJMYDMYPFUOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(12)8-11(5)15(13,14)7-6-10(2,3)4/h9,12H,6-8H2,1-5H3.
What are the key properties of N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide?
N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,3,3-trimethylbutane-1-sulfonamide is sourced from PubChem (CID 103916497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).