N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide

C9H18N2O3S — CID 66005897

IUPACN-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c12-9-5-8(6-9)7-10-15(13,14)11-3-1-2-4-11/h8-10,12H,1-7H2
InChIKeyMJCJEHFYHATVMU-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.31
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 66005897) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID66005897
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)N1CCCC1
InChIInChI=1S/C9H18N2O3S/c12-9-5-8(6-9)7-10-15(13,14)11-3-1-2-4-11/h8-10,12H,1-7H2
InChIKeyMJCJEHFYHATVMU-UHFFFAOYSA-N
XLogP-0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide (CID 66005897) is N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide is O=S(=O)(NCC1CC(O)C1)N1CCCC1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is MJCJEHFYHATVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c12-9-5-8(6-9)7-10-15(13,14)11-3-1-2-4-11/h8-10,12H,1-7H2.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 234.32 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 66005897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).