1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol

C12H23NO2S — CID 103062838

IUPAC1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESOC(CNC1CCSC1)COC1CCCC1
InChIInChI=1S/C12H23NO2S/c14-11(7-13-10-5-6-16-9-10)8-15-12-3-1-2-4-12/h10-14H,1-9H2
InChIKeyBNAHDRFQXWPICM-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.40
Rot. Bonds6

About 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol

1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol (PubChem CID 103062838) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
PubChem CID103062838
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol
SMILESOC(CNC1CCSC1)COC1CCCC1
InChIInChI=1S/C12H23NO2S/c14-11(7-13-10-5-6-16-9-10)8-15-12-3-1-2-4-12/h10-14H,1-9H2
InChIKeyBNAHDRFQXWPICM-UHFFFAOYSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]cyclohexane-1-carboxamide
CID 61044585
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
(2S)-3-(thian-3-ylamino)propane-1,2-diol
CID 104870598
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162
1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468
1-cyclopentyloxy-3-(cyclopentyloxyamino)propan-2-ol
CID 83228878

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol (CID 103062838) is 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol is OC(CNC1CCSC1)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol?
The InChIKey is BNAHDRFQXWPICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-11(7-13-10-5-6-16-9-10)8-15-12-3-1-2-4-12/h10-14H,1-9H2.
What are the key properties of 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol?
1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol has a molecular weight of 245.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(thiolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 103062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).