1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol

C14H28N2O4S — CID 60908468

IUPAC1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
SMILESCS(=O)(=O)N1CCC(NCC(O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O4S/c1-21(18,19)16-8-6-12(7-9-16)15-10-13(17)11-20-14-4-2-3-5-14/h12-15,17H,2-11H2,1H3
InChIKeyLHFNDNKTAQUPIO-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.32
Rot. Bonds7

About 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol

1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 60908468) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
PubChem CID60908468
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
SMILESCS(=O)(=O)N1CCC(NCC(O)COC2CCCC2)CC1
InChIInChI=1S/C14H28N2O4S/c1-21(18,19)16-8-6-12(7-9-16)15-10-13(17)11-20-14-4-2-3-5-14/h12-15,17H,2-11H2,1H3
InChIKeyLHFNDNKTAQUPIO-UHFFFAOYSA-N
XLogP0.32
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 106989436
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062838
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
1-cyclohexyloxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63278409
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol (CID 60908468) is 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol is CS(=O)(=O)N1CCC(NCC(O)COC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is LHFNDNKTAQUPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-21(18,19)16-8-6-12(7-9-16)15-10-13(17)11-20-14-4-2-3-5-14/h12-15,17H,2-11H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol?
1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 60908468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).