N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

C9H18ClNO3S — CID 65037518

IUPACN-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7H2,1H3
InChIKeyVNBYQMRCWWOTLC-UHFFFAOYSA-N
MW255.77 g/mol
LogP0.96
Rot. Bonds6

About N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 65037518) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID65037518
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC NameN-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCl)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7H2,1H3
InChIKeyVNBYQMRCWWOTLC-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.96
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

N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774
methyl 2-chloro-3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 103493490
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-(3-hydroxy-2,2-dimethylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115363119
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 65037518) is N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is CC(CCl)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is VNBYQMRCWWOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-8(5-10)6-11-15(12,13)7-9-3-2-4-14-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 65037518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).