2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide

C7H17N3O3S — CID 114398749

IUPAC2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
SMILESNCC1CN(CCS(N)(=O)=O)CCO1
InChIInChI=1S/C7H17N3O3S/c8-5-7-6-10(1-3-13-7)2-4-14(9,11)12/h7H,1-6,8H2,(H2,9,11,12)
InChIKeyAXJKHDFPZOWJMJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP-2.07
Rot. Bonds4

About 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide

2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide (PubChem CID 114398749) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
PubChem CID114398749
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide
SMILESNCC1CN(CCS(N)(=O)=O)CCO1
InChIInChI=1S/C7H17N3O3S/c8-5-7-6-10(1-3-13-7)2-4-14(9,11)12/h7H,1-6,8H2,(H2,9,11,12)
InChIKeyAXJKHDFPZOWJMJ-UHFFFAOYSA-N
XLogP-2.07
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922
3-[2-(aminomethyl)morpholin-4-yl]propanamide
CID 61336433
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
2-[4-[2-(3-amino-3-oxopropyl)sulfonylethyl]morpholin-2-yl]acetic acid
CID 66433496
[4-[2-(oxolan-3-yl)ethyl]morpholin-2-yl]methanamine
CID 120844455
[4-(3-ethylsulfanylpropyl)morpholin-2-yl]methanamine
CID 114395168
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
CID 114398814
2-[2-(aminomethyl)morpholin-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 61337607
[4-(2-imidazol-1-ylethyl)morpholin-2-yl]methanamine
CID 112703863
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide (CID 114398749) is 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide is NCC1CN(CCS(N)(=O)=O)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide?
The InChIKey is AXJKHDFPZOWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c8-5-7-6-10(1-3-13-7)2-4-14(9,11)12/h7H,1-6,8H2,(H2,9,11,12).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide?
2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide has a molecular weight of 223.30 g/mol, XLogP of -2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]ethanesulfonamide is sourced from PubChem (CID 114398749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).