2-[(sulfamoylamino)methyl]oxolane

C5H12N2O3S — CID 68548773

IUPAC2-[(sulfamoylamino)methyl]oxolane
SMILESNS(=O)(=O)NCC1CCCO1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyPKZRIZDVCVPJNX-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.04
Rot. Bonds3

About 2-[(sulfamoylamino)methyl]oxolane

2-[(sulfamoylamino)methyl]oxolane (PubChem CID 68548773) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-[(sulfamoylamino)methyl]oxolane.

Molecular Properties

Compound Name2-[(sulfamoylamino)methyl]oxolane
PubChem CID68548773
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-[(sulfamoylamino)methyl]oxolane
SMILESNS(=O)(=O)NCC1CCCO1
InChIInChI=1S/C5H12N2O3S/c6-11(8,9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H2,6,8,9)
InChIKeyPKZRIZDVCVPJNX-UHFFFAOYSA-N
XLogP-1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 63665339
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682485
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
1-methylsulfonyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 64630980
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952

Frequently Asked Questions

What is the IUPAC name of 2-[(sulfamoylamino)methyl]oxolane?
The IUPAC name of 2-[(sulfamoylamino)methyl]oxolane (CID 68548773) is 2-[(sulfamoylamino)methyl]oxolane.
What is the SMILES notation for 2-[(sulfamoylamino)methyl]oxolane?
The canonical SMILES for 2-[(sulfamoylamino)methyl]oxolane is NS(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-[(sulfamoylamino)methyl]oxolane?
The InChIKey is PKZRIZDVCVPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c6-11(8,9)7-4-5-2-1-3-10-5/h5,7H,1-4H2,(H2,6,8,9).
What are the key properties of 2-[(sulfamoylamino)methyl]oxolane?
2-[(sulfamoylamino)methyl]oxolane has a molecular weight of 180.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(sulfamoylamino)methyl]oxolane is sourced from PubChem (CID 68548773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).