1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol

C11H23NO3S — CID 107766075

IUPAC1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
SMILESCCCCCS(=O)(=O)CC(O)CNC1CC1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-7-16(14,15)9-11(13)8-12-10-5-6-10/h10-13H,2-9H2,1H3
InChIKeyCIYLVRXVXPGRQK-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.70
Rot. Bonds9

About 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol

1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol (PubChem CID 107766075) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
PubChem CID107766075
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol
SMILESCCCCCS(=O)(=O)CC(O)CNC1CC1
InChIInChI=1S/C11H23NO3S/c1-2-3-4-7-16(14,15)9-11(13)8-12-10-5-6-10/h10-13H,2-9H2,1H3
InChIKeyCIYLVRXVXPGRQK-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate
CID 113317953
1-butylsulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115476685
1-(cyclopentylamino)nonan-2-ol
CID 115002403
N-[4-(2-methylbutylsulfonyl)butyl]cyclopropanamine
CID 107757568
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
N-cyclopropylhexane-1-sulfonamide
CID 67119181
(2S)-1-butylsulfonyl-3-chloropropan-2-ol
CID 51689187
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
N-[3-methyl-2-(2-propylsulfonylethyl)butyl]cyclopropanamine
CID 106729682
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol (CID 107766075) is 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol is CCCCCS(=O)(=O)CC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol?
The InChIKey is CIYLVRXVXPGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-3-4-7-16(14,15)9-11(13)8-12-10-5-6-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol?
1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol has a molecular weight of 249.38 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-pentylsulfonylpropan-2-ol is sourced from PubChem (CID 107766075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).