N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide

C10H22N2O3S — CID 106297739

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-9(2,3)16(13,14)12-10(8-11)4-6-15-7-5-10/h12H,4-8,11H2,1-3H3
InChIKeySFKUDGABFRKIKL-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.21
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide

N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide (PubChem CID 106297739) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
PubChem CID106297739
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-9(2,3)16(13,14)12-10(8-11)4-6-15-7-5-10/h12H,4-8,11H2,1-3H3
InChIKeySFKUDGABFRKIKL-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106297743
2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033559
2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033650
(S)-2-methyl-N-((R)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67034308
(R)-2-methyl-N-((S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67221812
2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 77242937
(R)-2-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)ethyl)Propane-2-sulfinamide
CID 89739114
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
(S)-2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 122625775
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 163824145
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865
N-(1-amino-2-methylpropan-2-yl)oxane-4-sulfonamide
CID 62048060

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide (CID 106297739) is N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is SFKUDGABFRKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2,3)16(13,14)12-10(8-11)4-6-15-7-5-10/h12H,4-8,11H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 106297739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).