1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol

C11H23NO2S — CID 115477122

IUPAC1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CS(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-9(2)12-7-10(13)8-15(14)11-5-3-4-6-11/h9-13H,3-8H2,1-2H3
InChIKeyFSJQCOYDVOLKES-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.04
Rot. Bonds6

About 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol

1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 115477122) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID115477122
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CS(=O)C1CCCC1
InChIInChI=1S/C11H23NO2S/c1-9(2)12-7-10(13)8-15(14)11-5-3-4-6-11/h9-13H,3-8H2,1-2H3
InChIKeyFSJQCOYDVOLKES-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Isobutylamino-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 16187036
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
CID 3131601
4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
4-(3-Methoxypropylamino)-1,1-dioxothiolan-3-ol
CID 3131602
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
1lambda~6~-Thiolane-1,1-dione--1,1'-azanediyldi(propan-2-ol)--water (1/1/1)
CID 190009
3-(1-Ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol
CID 103914359
3-(1-Ethylsulfonylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115900814
1,1,1-Trifluoro-3-(4-methylsulfinylbutan-2-ylamino)propan-2-ol
CID 116249826
3-[3-(4,4,5,5,5-Pentafluoropentylsulfinyl)propylamino]butan-2-ol
CID 153903916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol (CID 115477122) is 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CS(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is FSJQCOYDVOLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)12-7-10(13)8-15(14)11-5-3-4-6-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol?
1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115477122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).