3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

C9H20N2O3S — CID 60910509

IUPAC3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCN
InChIInChI=1S/C9H20N2O3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8,10H2,1H3
InChIKeyIOQHGPSXBAJEHC-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.22
Rot. Bonds5

About 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide

3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (PubChem CID 60910509) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
PubChem CID60910509
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CCCN
InChIInChI=1S/C9H20N2O3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8,10H2,1H3
InChIKeyIOQHGPSXBAJEHC-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[oxan-4-yl(propan-2-yl)amino]ethyl]ethanesulfonamide
CID 72003186
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
N-(oxan-4-yl)propane-2-sulfonamide
CID 61355877
N-(Oxan-4-YL)ethane-1-sulfonamide
CID 61356037
N-(oxan-4-yl)propane-1-sulfonamide
CID 61384178
N-isopropyltetrahydro-2H-pyran-4-sulfonamide
CID 64295375
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
N-methyl-N-(oxan-4-yl)cyclopropanesulfonamide
CID 70819457
N-(oxan-4-yl)butane-1-sulfonamide
CID 110726870
N-(oxan-4-yl)heptane-1-sulfonamide
CID 138655802
2-(Oxan-4-ylamino)ethanesulfonate
CID 153294193
N-(oxan-4-yl)hexane-1-sulfonamide
CID 155392193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide (CID 60910509) is 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is CN(C1CCOCC1)S(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
The InChIKey is IOQHGPSXBAJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-11(9-3-6-14-7-4-9)15(12,13)8-2-5-10/h9H,2-8,10H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide?
3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(oxan-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 60910509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).