N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide

C7H17NO4S — CID 121481169

IUPACN-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@H](CO)CNS(C)(=O)=O
InChIInChI=1S/C7H17NO4S/c1-6(2)12-7(5-9)4-8-13(3,10)11/h6-9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKBDBQIIIHHKYEA-ZETCQYMHSA-N
MW211.28 g/mol
LogP-0.68
Rot. Bonds6

About N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide

N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide (PubChem CID 121481169) has the molecular formula C7H17NO4S and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
PubChem CID121481169
Molecular FormulaC7H17NO4S
Molecular Weight211.28 g/mol
Exact Mass211.09
IUPAC NameN-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
SMILESCC(C)O[C@H](CO)CNS(C)(=O)=O
InChIInChI=1S/C7H17NO4S/c1-6(2)12-7(5-9)4-8-13(3,10)11/h6-9H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyKBDBQIIIHHKYEA-ZETCQYMHSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide?
The IUPAC name of N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide (CID 121481169) is N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide is CC(C)O[C@H](CO)CNS(C)(=O)=O.
What is the InChIKey of N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide?
The InChIKey is KBDBQIIIHHKYEA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO4S/c1-6(2)12-7(5-9)4-8-13(3,10)11/h6-9H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide?
N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide has a molecular weight of 211.28 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide is sourced from PubChem (CID 121481169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).