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

C9H20N2O3S — CID 106297750

IUPACN-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-7-15(12,13)11-9(8-10)3-5-14-6-4-9/h11H,2-8,10H2,1H3
InChIKeyKDALGPWRUPAWRV-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds5

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

N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide (PubChem CID 106297750) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
PubChem CID106297750
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O3S/c1-2-7-15(12,13)11-9(8-10)3-5-14-6-4-9/h11H,2-8,10H2,1H3
InChIKeyKDALGPWRUPAWRV-UHFFFAOYSA-N
XLogP-0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.18
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
(R)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 121422085
N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide
CID 141285794
N-[(1R)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide
CID 141286957
(S)-N-[(3R,4R)-3-amino-4-methyloxan-4-yl]-2-methylpropane-2-sulfinamide
CID 163824145
1-(oxan-4-yl)-N-propan-2-ylmethanesulfonamide
CID 166765445
N-[1-(oxan-4-yl)ethyl]butane-1-sulfinamide
CID 169857480
[[(3R,4R)-3-amino-4-methyloxan-4-yl]amino]-tert-butyl-oxidosulfanium
CID 173638865
N-(1-amino-2-methylbutan-2-yl)-N-methyloxane-4-sulfonamide
CID 55031389
N-[3-(aminomethyl)pentan-3-yl]-N-ethyloxane-4-sulfonamide
CID 55031390
4-amino-N-(oxan-4-yl)butane-1-sulfonamide
CID 61456909
N-[3-(aminomethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 61608687

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide (CID 106297750) is N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide?
The InChIKey is KDALGPWRUPAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-2-7-15(12,13)11-9(8-10)3-5-14-6-4-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide?
N-[4-(aminomethyl)oxan-4-yl]propane-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.18, 5 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]propane-1-sulfonamide is sourced from PubChem (CID 106297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).