1-(cyclohexylamino)ethanesulfonic acid;ethanol

C10H23NO4S — CID 175383894

IUPAC1-(cyclohexylamino)ethanesulfonic acid;ethanol
SMILESCC(NC1CCCCC1)S(=O)(=O)O.CCO
InChIInChI=1S/C8H17NO3S.C2H6O/c1-7(13(10,11)12)9-8-5-3-2-4-6-8;1-2-3/h7-9H,2-6H2,1H3,(H,10,11,12);3H,2H2,1H3
InChIKeyUDAHNGJSAGWBOE-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.14
Rot. Bonds3

About 1-(cyclohexylamino)ethanesulfonic acid;ethanol

1-(cyclohexylamino)ethanesulfonic acid;ethanol (PubChem CID 175383894) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(cyclohexylamino)ethanesulfonic acid;ethanol.

Molecular Properties

Compound Name1-(cyclohexylamino)ethanesulfonic acid;ethanol
PubChem CID175383894
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name1-(cyclohexylamino)ethanesulfonic acid;ethanol
SMILESCC(NC1CCCCC1)S(=O)(=O)O.CCO
InChIInChI=1S/C8H17NO3S.C2H6O/c1-7(13(10,11)12)9-8-5-3-2-4-6-8;1-2-3/h7-9H,2-6H2,1H3,(H,10,11,12);3H,2H2,1H3
InChIKeyUDAHNGJSAGWBOE-UHFFFAOYSA-N
XLogP1.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(cycloheptylamino)ethanesulfonic acid
CID 147502327
1-(cyclopentylamino)propane-1-sulfonic acid
CID 157022860
2-(cyclododecylamino)propan-1-ol
CID 43499740
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
ethanol;N-methylcyclooctanamine
CID 67980226
N-propan-2-ylcycloheptanamine
CID 42562651
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
2-(cyclooctylamino)-3-methylpentan-1-ol
CID 115891669
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)ethanesulfonic acid;ethanol?
The IUPAC name of 1-(cyclohexylamino)ethanesulfonic acid;ethanol (CID 175383894) is 1-(cyclohexylamino)ethanesulfonic acid;ethanol.
What is the SMILES notation for 1-(cyclohexylamino)ethanesulfonic acid;ethanol?
The canonical SMILES for 1-(cyclohexylamino)ethanesulfonic acid;ethanol is CC(NC1CCCCC1)S(=O)(=O)O.CCO.
What is the InChIKey of 1-(cyclohexylamino)ethanesulfonic acid;ethanol?
The InChIKey is UDAHNGJSAGWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S.C2H6O/c1-7(13(10,11)12)9-8-5-3-2-4-6-8;1-2-3/h7-9H,2-6H2,1H3,(H,10,11,12);3H,2H2,1H3.
What are the key properties of 1-(cyclohexylamino)ethanesulfonic acid;ethanol?
1-(cyclohexylamino)ethanesulfonic acid;ethanol has a molecular weight of 253.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)ethanesulfonic acid;ethanol is sourced from PubChem (CID 175383894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).