3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide

C9H18ClNO3S — CID 61433631

IUPAC3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(8-9-4-2-6-14-9)15(12,13)7-3-5-10/h9H,2-8H2,1H3
InChIKeyDFFHRLKGBFWODZ-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds6

About 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide

3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide (PubChem CID 61433631) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
PubChem CID61433631
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H18ClNO3S/c1-11(8-9-4-2-6-14-9)15(12,13)7-3-5-10/h9H,2-8H2,1H3
InChIKeyDFFHRLKGBFWODZ-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
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-methyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 64585156
1-(3-Chloropropylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
CID 54877377
N-butyl-N-(2-chloroethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55187073
3-chloro-N,N-bis(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 60958488
1-(3-Chloropropylsulfonyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 60958826
3-chloro-N-methyl-N-(oxan-2-ylmethyl)propane-1-sulfonamide
CID 61433679
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61439111
N-ethyl-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 61565190
N-ethyl-N-(oxolan-2-ylmethyl)propane-2-sulfonamide
CID 61565191
N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61565192
1-chloro-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 63666435
1-chloro-N-ethyl-N-[(oxolan-2-yl)methyl]methanesulfonamide
CID 63666437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide (CID 61433631) is 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide is CN(CC1CCCO1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is DFFHRLKGBFWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-11(8-9-4-2-6-14-9)15(12,13)7-3-5-10/h9H,2-8H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 61433631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).