N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide

C9H17NO3S — CID 136529949

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1(CO)CCC1)C1CC1
InChIInChI=1S/C9H17NO3S/c11-7-9(4-1-5-9)6-10-14(12,13)8-2-3-8/h8,10-11H,1-7H2
InChIKeyNGKUYUNRXMJFOI-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.23
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide (PubChem CID 136529949) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide
PubChem CID136529949
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1(CO)CCC1)C1CC1
InChIInChI=1S/C9H17NO3S/c11-7-9(4-1-5-9)6-10-14(12,13)8-2-3-8/h8,10-11H,1-7H2
InChIKeyNGKUYUNRXMJFOI-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide (CID 136529949) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1(CO)CCC1)C1CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide?
The InChIKey is NGKUYUNRXMJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-7-9(4-1-5-9)6-10-14(12,13)8-2-3-8/h8,10-11H,1-7H2.
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 136529949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).