N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide

C9H19NO3S — CID 115867632

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C9H19NO3S/c1-3-14(12,13)10(2)8-9(11)6-4-5-7-9/h11H,3-8H2,1-2H3
InChIKeyYXCKYMIGVOMXTD-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.57
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide

N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide (PubChem CID 115867632) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
PubChem CID115867632
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C9H19NO3S/c1-3-14(12,13)10(2)8-9(11)6-4-5-7-9/h11H,3-8H2,1-2H3
InChIKeyYXCKYMIGVOMXTD-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867673
methyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867674
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-2-sulfonamide
CID 115867671
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
3,3,3-trifluoro-N-[(1-hydroxycyclobutyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 166308359
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N-methyl-N-[[1-(propan-2-ylamino)cyclohexyl]methyl]ethanesulfonamide
CID 58821714
1-[[3-ethylsulfonylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 113321852
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 115867678
2-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 114951122
1-[[dodecyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952592

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide (CID 115867632) is N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The InChIKey is YXCKYMIGVOMXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-14(12,13)10(2)8-9(11)6-4-5-7-9/h11H,3-8H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 115867632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).