[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite

C9H18NO3S- — CID 174687720

IUPAC[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite
SMILESC[C@@H](CNC1CCCCC1)OS(=O)[O-]
InChIInChI=1S/C9H19NO3S/c1-8(13-14(11)12)7-10-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyVIOPEDLHURURDM-QMMMGPOBSA-M
MW220.31 g/mol
LogP1.11
Rot. Bonds5

About [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite

[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite (PubChem CID 174687720) has the molecular formula C9H18NO3S- and a molecular weight of 220.31 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite
PubChem CID174687720
Molecular FormulaC9H18NO3S-
Molecular Weight220.31 g/mol
Exact Mass220.10
IUPAC Name[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite
SMILESC[C@@H](CNC1CCCCC1)OS(=O)[O-]
InChIInChI=1S/C9H19NO3S/c1-8(13-14(11)12)7-10-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,11,12)/p-1/t8-/m0/s1
InChIKeyVIOPEDLHURURDM-QMMMGPOBSA-M
XLogP1.11
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
CID 66276847
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
3-(cyclohexylamino)propyl sulfite
CID 57055219
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite?
The IUPAC name of [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite (CID 174687720) is [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite?
The canonical SMILES for [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite is C[C@@H](CNC1CCCCC1)OS(=O)[O-].
What is the InChIKey of [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite?
The InChIKey is VIOPEDLHURURDM-QMMMGPOBSA-M. The full InChI is InChI=1S/C9H19NO3S/c1-8(13-14(11)12)7-10-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,11,12)/p-1/t8-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite?
[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite has a molecular weight of 220.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)propan-2-yl] sulfite is sourced from PubChem (CID 174687720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).