N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide

C8H18N2O3S — CID 106297752

IUPACN-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-2-14(11,12)10-8(7-9)3-5-13-6-4-8/h10H,2-7,9H2,1H3
InChIKeyHTJUVCGKGRNKMT-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide

N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide (PubChem CID 106297752) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide
PubChem CID106297752
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(CN)CCOCC1
InChIInChI=1S/C8H18N2O3S/c1-2-14(11,12)10-8(7-9)3-5-13-6-4-8/h10H,2-7,9H2,1H3
InChIKeyHTJUVCGKGRNKMT-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide (CID 106297752) is N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1(CN)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide?
The InChIKey is HTJUVCGKGRNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-14(11,12)10-8(7-9)3-5-13-6-4-8/h10H,2-7,9H2,1H3.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide?
N-[4-(aminomethyl)oxan-4-yl]ethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 4 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]ethanesulfonamide is sourced from PubChem (CID 106297752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).