N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide

C9H16ClNO2S — CID 66005889

IUPACN-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CC(Cl)C1
InChIInChI=1S/C9H16ClNO2S/c10-9-3-8(4-9)5-11-14(12,13)6-7-1-2-7/h7-9,11H,1-6H2
InChIKeySRZFBTYPWPFTGB-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.33
Rot. Bonds5

About N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide

N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 66005889) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
PubChem CID66005889
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCC1CC(Cl)C1
InChIInChI=1S/C9H16ClNO2S/c10-9-3-8(4-9)5-11-14(12,13)6-7-1-2-7/h7-9,11H,1-6H2
InChIKeySRZFBTYPWPFTGB-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide (CID 66005889) is N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCC1CC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is SRZFBTYPWPFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c10-9-3-8(4-9)5-11-14(12,13)6-7-1-2-7/h7-9,11H,1-6H2.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide?
N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 237.75 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 66005889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).