2-(2-imidazol-1-ylethylsulfonyl)ethanamine

C7H13N3O2S — CID 15034996

IUPAC2-(2-imidazol-1-ylethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C7H13N3O2S/c8-1-5-13(11,12)6-4-10-3-2-9-7-10/h2-3,7H,1,4-6,8H2
InChIKeyDIIHPJNXIGDPJB-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.74
Rot. Bonds5

About 2-(2-imidazol-1-ylethylsulfonyl)ethanamine

2-(2-imidazol-1-ylethylsulfonyl)ethanamine (PubChem CID 15034996) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylsulfonyl)ethanamine
PubChem CID15034996
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-(2-imidazol-1-ylethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCn1ccnc1
InChIInChI=1S/C7H13N3O2S/c8-1-5-13(11,12)6-4-10-3-2-9-7-10/h2-3,7H,1,4-6,8H2
InChIKeyDIIHPJNXIGDPJB-UHFFFAOYSA-N
XLogP-0.74
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
3-imidazol-1-ylpropan-1-amine;trifluoromethanesulfonic acid
CID 174802569
2-[2-(2-methylimidazol-1-yl)ethylsulfonyl]ethanamine
CID 81175865
2-amino-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 61482816
bis(1-propylimidazole);sulfuric acid
CID 86038795
4-imidazol-1-ylbutane-1-sulfonic acid;sulfuric acid
CID 175825454
3-(2-imidazol-1-ylethoxy)propan-1-amine
CID 106938071
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
2-imidazol-1-ylethanol
CID 159023310
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylsulfonyl)ethanamine?
The IUPAC name of 2-(2-imidazol-1-ylethylsulfonyl)ethanamine (CID 15034996) is 2-(2-imidazol-1-ylethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-imidazol-1-ylethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-imidazol-1-ylethylsulfonyl)ethanamine is NCCS(=O)(=O)CCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethylsulfonyl)ethanamine?
The InChIKey is DIIHPJNXIGDPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-1-5-13(11,12)6-4-10-3-2-9-7-10/h2-3,7H,1,4-6,8H2.
What are the key properties of 2-(2-imidazol-1-ylethylsulfonyl)ethanamine?
2-(2-imidazol-1-ylethylsulfonyl)ethanamine has a molecular weight of 203.27 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylsulfonyl)ethanamine is sourced from PubChem (CID 15034996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).