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

C9H18ClNO3S — CID 107652588

IUPAC2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(15(13,14)7-6-10)8-9(12)4-2-3-5-9/h12H,2-8H2,1H3
InChIKeyCOBHUKRXLIXDNR-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.79
Rot. Bonds5

About 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide

2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide (PubChem CID 107652588) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
PubChem CID107652588
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(15(13,14)7-6-10)8-9(12)4-2-3-5-9/h12H,2-8H2,1H3
InChIKeyCOBHUKRXLIXDNR-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 75435990
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 115967751
3-chloro-N-[(1-hydroxycyclopentyl)methyl]propane-1-sulfonamide
CID 65110326
3-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79586163
2-chloro-N-[(1-hydroxycyclopentyl)methyl]ethanesulfonamide
CID 107652090
1-(2-Chloroethylsulfonyl)-3-propylazetidin-3-ol
CID 107858933
1-(3-Chloropropylsulfonyl)-3-propylazetidin-3-ol
CID 107858935
1-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 109895650
N-[(1-hydroxycyclopentyl)methyl]-N-methylbutane-1-sulfonamide
CID 109895651
N-[(1-hydroxycyclopentyl)methyl]-N-methylpropane-1-sulfonamide
CID 109895655
N-[(1-hydroxycyclopentyl)methyl]-N,3,3-trimethylbutane-1-sulfonamide
CID 109895662
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpentane-1-sulfonamide
CID 109895671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide (CID 107652588) is 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
The InChIKey is COBHUKRXLIXDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-11(15(13,14)7-6-10)8-9(12)4-2-3-5-9/h12H,2-8H2,1H3.
What are the key properties of 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide?
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 107652588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).