N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide

C10H22N2O4S — CID 114170087

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O4S/c1-15-5-2-8-17(13,14)12-10(9-11)3-6-16-7-4-10/h12H,2-9,11H2,1H3
InChIKeyMZUAIOXSNNQTQN-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.55
Rot. Bonds7

About N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide

N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide (PubChem CID 114170087) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
PubChem CID114170087
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O4S/c1-15-5-2-8-17(13,14)12-10(9-11)3-6-16-7-4-10/h12H,2-9,11H2,1H3
InChIKeyMZUAIOXSNNQTQN-UHFFFAOYSA-N
XLogP-0.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 163824145
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
N-[3-(aminomethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 61608687
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
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-aminobutan-2-yl)oxane-4-sulfonamide
CID 62048244
N-(1-amino-2-methylbutan-2-yl)oxane-4-sulfonamide
CID 62048246
N-[3-(aminomethyl)pentan-3-yl]-N-methyloxane-4-sulfonamide
CID 62049929
N-[3-(aminomethyl)pentan-3-yl]-N-propyloxane-4-sulfonamide
CID 62050110

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide (CID 114170087) is N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide?
The InChIKey is MZUAIOXSNNQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-15-5-2-8-17(13,14)12-10(9-11)3-6-16-7-4-10/h12H,2-9,11H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide has a molecular weight of 266.36 g/mol, XLogP of -0.55, 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]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 114170087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).