1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane

C7H16N2O3S — CID 66007399

IUPAC1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane
SMILESCN(C)S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(11,12)8-5-6-3-7(10)4-6/h6-8,10H,3-5H2,1-2H3
InChIKeyQMJBLAFTRHKARV-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.85
Rot. Bonds4

About 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane

1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane (PubChem CID 66007399) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane.

Molecular Properties

Compound Name1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane
PubChem CID66007399
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane
SMILESCN(C)S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-9(2)13(11,12)8-5-6-3-7(10)4-6/h6-8,10H,3-5H2,1-2H3
InChIKeyQMJBLAFTRHKARV-UHFFFAOYSA-N
XLogP-0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane?
The IUPAC name of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane (CID 66007399) is 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane.
What is the SMILES notation for 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane?
The canonical SMILES for 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane is CN(C)S(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane?
The InChIKey is QMJBLAFTRHKARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-9(2)13(11,12)8-5-6-3-7(10)4-6/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane?
1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane has a molecular weight of 208.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylsulfamoylamino)methyl]-3-hydroxycyclobutane is sourced from PubChem (CID 66007399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).