N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide

C9H19NO3S — CID 66004403

IUPACN-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO3S/c1-7(2)6-14(12,13)10-5-8-3-9(11)4-8/h7-11H,3-6H2,1-2H3
InChIKeySWVBEASJQIHQTB-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.33
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide (PubChem CID 66004403) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide
PubChem CID66004403
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C9H19NO3S/c1-7(2)6-14(12,13)10-5-8-3-9(11)4-8/h7-11H,3-6H2,1-2H3
InChIKeySWVBEASJQIHQTB-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.33
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]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide (CID 66004403) is N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is SWVBEASJQIHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)6-14(12,13)10-5-8-3-9(11)4-8/h7-11H,3-6H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 66004403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).