1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine

C10H18N4O3S — CID 115315246

IUPAC1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
SMILESCc1ncc(S(=O)(=O)N2CCOC(C(C)N)C2)[nH]1
InChIInChI=1S/C10H18N4O3S/c1-7(11)9-6-14(3-4-17-9)18(15,16)10-5-12-8(2)13-10/h5,7,9H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyIHVYMOCXCZQKGR-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.55
Rot. Bonds3

About 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine

1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine (PubChem CID 115315246) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
PubChem CID115315246
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
SMILESCc1ncc(S(=O)(=O)N2CCOC(C(C)N)C2)[nH]1
InChIInChI=1S/C10H18N4O3S/c1-7(11)9-6-14(3-4-17-9)18(15,16)10-5-12-8(2)13-10/h5,7,9H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyIHVYMOCXCZQKGR-UHFFFAOYSA-N
XLogP-0.55
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine (CID 115315246) is 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine is Cc1ncc(S(=O)(=O)N2CCOC(C(C)N)C2)[nH]1.
What is the InChIKey of 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine?
The InChIKey is IHVYMOCXCZQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7(11)9-6-14(3-4-17-9)18(15,16)10-5-12-8(2)13-10/h5,7,9H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine?
1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine has a molecular weight of 274.35 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115315246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).