N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide

C6H13NO3S — CID 115642581

IUPACN-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-5-6(8)3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyVVZFWEISPRPZEH-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.55
Rot. Bonds3

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

N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide (PubChem CID 115642581) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
PubChem CID115642581
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C6H13NO3S/c1-11(9,10)7-5-6(8)3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyVVZFWEISPRPZEH-UHFFFAOYSA-N
XLogP-0.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxythian-4-yl)methyl]methanesulfonamide
CID 130645691
N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
CID 167976353
N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
CID 111439936
1,1,1-trifluoro-N-[(1-hydroxycyclopentyl)methyl]methanesulfonamide
CID 65113106
N-[(1-hydroxycycloheptyl)methyl]ethenesulfonamide
CID 167898151
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
1-[(cyclopropylsulfamoylamino)methyl]cyclopentan-1-ol
CID 114383287
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
N-[[1-(bromomethyl)cyclopropyl]methyl]methanesulfonamide
CID 115456558
N-[(1-hydroxycyclobutyl)methyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115753994

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide (CID 115642581) is N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide is CS(=O)(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide?
The InChIKey is VVZFWEISPRPZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11(9,10)7-5-6(8)3-2-4-6/h7-8H,2-5H2,1H3.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide?
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 115642581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).