N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide

C9H19NO2S — CID 59266019

IUPACN-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1(C)CCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-9(3)5-4-6-9/h8,10H,4-7H2,1-3H3
InChIKeySWOYGILAZIGTPU-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.50
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide

N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide (PubChem CID 59266019) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide
PubChem CID59266019
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1(C)CCC1
InChIInChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-9(3)5-4-6-9/h8,10H,4-7H2,1-3H3
InChIKeySWOYGILAZIGTPU-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide (CID 59266019) is N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1(C)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide?
The InChIKey is SWOYGILAZIGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)13(11,12)10-7-9(3)5-4-6-9/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide?
N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 59266019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).