N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C9H18ClNO3S — CID 104556477

IUPACN-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-8(6-10)11(2)15(12,13)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3
InChIKeyKYECBMFQTPGORI-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.05
Rot. Bonds5

About N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 104556477) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID104556477
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC NameN-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(CCl)N(C)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18ClNO3S/c1-8(6-10)11(2)15(12,13)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3
InChIKeyKYECBMFQTPGORI-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-(oxan-2-yl)methanesulfonamide
CID 119982374
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
N-(1-chloropropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 104555697
N-(3-chloro-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65037518
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
(2R)-2-ethyloxolane
CID 641529
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 106441751
azane;2-ethyloxolane
CID 174465001
N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 79123098
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 79387072

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 104556477) is N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CC(CCl)N(C)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is KYECBMFQTPGORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-8(6-10)11(2)15(12,13)7-9-4-3-5-14-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 104556477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).