2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine

C13H18N4O3S — CID 125437790

IUPAC2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine
SMILESNCC[C@H]1CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CCO1
InChIInChI=1S/C13H18N4O3S/c14-4-3-10-8-17(5-6-20-10)21(18,19)11-1-2-12-13(7-11)16-9-15-12/h1-2,7,9-10H,3-6,8,14H2,(H,15,16)/t10-/m0/s1
InChIKeyZFPNGGTXMDTKFR-JTQLQIEISA-N
MW310.38 g/mol
LogP0.30
Rot. Bonds4

About 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine

2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine (PubChem CID 125437790) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine
PubChem CID125437790
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine
SMILESNCC[C@H]1CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CCO1
InChIInChI=1S/C13H18N4O3S/c14-4-3-10-8-17(5-6-20-10)21(18,19)11-1-2-12-13(7-11)16-9-15-12/h1-2,7,9-10H,3-6,8,14H2,(H,15,16)/t10-/m0/s1
InChIKeyZFPNGGTXMDTKFR-JTQLQIEISA-N
XLogP0.30
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine (CID 125437790) is 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine is NCC[C@H]1CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CCO1.
What is the InChIKey of 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine?
The InChIKey is ZFPNGGTXMDTKFR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-4-3-10-8-17(5-6-20-10)21(18,19)11-1-2-12-13(7-11)16-9-15-12/h1-2,7,9-10H,3-6,8,14H2,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine?
2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine has a molecular weight of 310.38 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3H-benzimidazol-5-ylsulfonyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 125437790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).