N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide

C7H13NO3S — CID 167976353

IUPACN-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C7H13NO3S/c1-2-12(10,11)8-6-7(9)4-3-5-7/h2,8-9H,1,3-6H2
InChIKeyOMMCWNJKNJXDBE-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.04
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide

N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide (PubChem CID 167976353) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
PubChem CID167976353
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C7H13NO3S/c1-2-12(10,11)8-6-7(9)4-3-5-7/h2,8-9H,1,3-6H2
InChIKeyOMMCWNJKNJXDBE-UHFFFAOYSA-N
XLogP-0.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
CID 167898151
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
CID 111439936
1-[(cyclopropylsulfamoylamino)methyl]cyclopentan-1-ol
CID 114383287
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide (CID 167976353) is N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide?
The InChIKey is OMMCWNJKNJXDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-12(10,11)8-6-7(9)4-3-5-7/h2,8-9H,1,3-6H2.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide?
N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide has a molecular weight of 191.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide is sourced from PubChem (CID 167976353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).