(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane

C7H16N2O3S — CID 669828

IUPAC(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(10,11)8-6-7-4-3-5-12-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRTMPRLXQTMTEIW-ZETCQYMHSA-N
MW208.28 g/mol
LogP-0.44
Rot. Bonds4

About (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane

(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane (PubChem CID 669828) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane
PubChem CID669828
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane
SMILESCN(C)S(=O)(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(10,11)8-6-7-4-3-5-12-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyRTMPRLXQTMTEIW-ZETCQYMHSA-N
XLogP-0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane?
The IUPAC name of (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane (CID 669828) is (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane.
What is the SMILES notation for (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane?
The canonical SMILES for (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane is CN(C)S(=O)(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane?
The InChIKey is RTMPRLXQTMTEIW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-9(2)13(10,11)8-6-7-4-3-5-12-7/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane?
(2S)-2-[(dimethylsulfamoylamino)methyl]oxolane has a molecular weight of 208.28 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(dimethylsulfamoylamino)methyl]oxolane is sourced from PubChem (CID 669828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).