N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide

C10H21NO3S — CID 111439936

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C10H21NO3S/c1-3-9(2)7-15(13,14)11-8-10(12)5-4-6-10/h9,11-12H,3-8H2,1-2H3
InChIKeyFDGDNUAWZYREBI-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds6

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

N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide (PubChem CID 111439936) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
PubChem CID111439936
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC1(O)CCC1
InChIInChI=1S/C10H21NO3S/c1-3-9(2)7-15(13,14)11-8-10(12)5-4-6-10/h9,11-12H,3-8H2,1-2H3
InChIKeyFDGDNUAWZYREBI-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121924
N-[(1-hydroxycyclobutyl)methyl]methanesulfonamide
CID 115642581
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-1-sulfonamide
CID 65121362
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
2-[(1-hydroxycyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 65111296
N-[(1-hydroxycycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 65122529
N-[(1-hydroxycyclobutyl)methyl]ethenesulfonamide
CID 167976353
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide (CID 111439936) is N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide?
The InChIKey is FDGDNUAWZYREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-9(2)7-15(13,14)11-8-10(12)5-4-6-10/h9,11-12H,3-8H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 111439936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).