1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide

C8H16ClNO3S — CID 114951930

IUPAC1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-10(14(12,13)7-9)6-8(11)4-2-3-5-8/h11H,2-7H2,1H3
InChIKeyNCLOKVSFMSXYMJ-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.75
Rot. Bonds4

About 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide

1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (PubChem CID 114951930) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
PubChem CID114951930
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
SMILESCN(CC1(O)CCCC1)S(=O)(=O)CCl
InChIInChI=1S/C8H16ClNO3S/c1-10(14(12,13)7-9)6-8(11)4-2-3-5-8/h11H,2-7H2,1H3
InChIKeyNCLOKVSFMSXYMJ-UHFFFAOYSA-N
XLogP0.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.75
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
1,1-difluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 115867596
1-[[[Butyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol
CID 75436030
1-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 104099496
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylethanesulfonamide
CID 107652588
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
1-[[[Ethyl(methyl)sulfamoyl]-methylamino]methyl]cyclopentan-1-ol
CID 109895678
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutane-1-sulfonamide
CID 109895689
N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide
CID 109895690

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide (CID 114951930) is 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is CN(CC1(O)CCCC1)S(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is NCLOKVSFMSXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-10(14(12,13)7-9)6-8(11)4-2-3-5-8/h11H,2-7H2,1H3.
What are the key properties of 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide?
1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 114951930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).