1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide

C11H20ClNO4S — CID 63664326

IUPAC1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C11H20ClNO4S/c12-9-18(14,15)13(7-10-3-1-5-16-10)8-11-4-2-6-17-11/h10-11H,1-9H2
InChIKeyYUTPFLSVWNIGEG-UHFFFAOYSA-N
MW297.80 g/mol
LogP1.17
Rot. Bonds6

About 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide

1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 63664326) has the molecular formula C11H20ClNO4S and a molecular weight of 297.80 g/mol. Its IUPAC name is 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID63664326
Molecular FormulaC11H20ClNO4S
Molecular Weight297.80 g/mol
Exact Mass297.08
IUPAC Name1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C11H20ClNO4S/c12-9-18(14,15)13(7-10-3-1-5-16-10)8-11-4-2-6-17-11/h10-11H,1-9H2
InChIKeyYUTPFLSVWNIGEG-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide (CID 63664326) is 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide is O=S(=O)(CCl)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is YUTPFLSVWNIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO4S/c12-9-18(14,15)13(7-10-3-1-5-16-10)8-11-4-2-6-17-11/h10-11H,1-9H2.
What are the key properties of 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide?
1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 297.80 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-bis(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63664326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).