N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide

C11H24N2O4S — CID 106297741

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C11H24N2O4S/c1-10(2)17-7-8-18(14,15)13-11(9-12)3-5-16-6-4-11/h10,13H,3-9,12H2,1-2H3
InChIKeyKWLUBWVUZHHMQH-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.16
Rot. Bonds7

About N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 106297741) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID106297741
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C11H24N2O4S/c1-10(2)17-7-8-18(14,15)13-11(9-12)3-5-16-6-4-11/h10,13H,3-9,12H2,1-2H3
InChIKeyKWLUBWVUZHHMQH-UHFFFAOYSA-N
XLogP-0.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
N-(1-amino-2-methylpropan-2-yl)oxane-4-sulfonamide
CID 62048060
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 62048246
N-[3-(aminomethyl)pentan-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246420
N-(1-amino-2-methylbutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246463
1-amino-N-(oxan-4-ylmethyl)propane-2-sulfonamide
CID 65569442
1-amino-N-(oxan-4-ylmethyl)butane-2-sulfonamide
CID 65569443
N-(2-amino-4-ethoxycyclobutyl)oxane-4-sulfonamide
CID 66197636
N-[3-(aminomethyl)pentan-3-yl]-2-propan-2-yloxyethanesulfonamide
CID 79594002
1-amino-N-(2,3-dimethyloxolan-3-yl)butane-2-sulfonamide
CID 105661316
4-amino-N-(2,3-dimethyloxolan-3-yl)butane-1-sulfonamide
CID 105661332

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide (CID 106297741) is N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is KWLUBWVUZHHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-10(2)17-7-8-18(14,15)13-11(9-12)3-5-16-6-4-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 280.39 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 106297741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).