N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide

C11H22N2O3S — CID 55031294

IUPACN-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-6-1-7-13(10-2-3-10)17(14,15)11-4-8-16-9-5-11/h10-11H,1-9,12H2
InChIKeyFOEOPMXAUMGBGX-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.31
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide

N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide (PubChem CID 55031294) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide
PubChem CID55031294
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H22N2O3S/c12-6-1-7-13(10-2-3-10)17(14,15)11-4-8-16-9-5-11/h10-11H,1-9,12H2
InChIKeyFOEOPMXAUMGBGX-UHFFFAOYSA-N
XLogP0.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.31
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
(3S,4S)-3-fluoro-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 176015720
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 63246231
2-(Oxan-4-ylamino)ethanesulfonamide
CID 43608649
2-amino-N-methyl-N-(oxan-4-yl)ethanesulfonamide
CID 43610995
1-(Oxane-4-sulfonyl)piperidin-4-amine hydrochloride
CID 53605232
1-(Oxane-4-sulfonyl)piperidin-4-amine
CID 53605233
N-ethyl-N-[3-(oxan-4-ylamino)propyl]methanesulfonamide
CID 54903584
N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972284
N-methyl-N-(oxan-4-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972333
N-methyl-N-(oxan-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972384

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide (CID 55031294) is N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide is NCCCN(C1CC1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide?
The InChIKey is FOEOPMXAUMGBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-6-1-7-13(10-2-3-10)17(14,15)11-4-8-16-9-5-11/h10-11H,1-9,12H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide?
N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyloxane-4-sulfonamide is sourced from PubChem (CID 55031294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).