(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol

C11H21NO3S — CID 126846815

IUPAC(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol
SMILESCCCN(C1CCC1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C11H21NO3S/c1-2-6-12(9-4-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyRKPUKIFVCCRLLL-GHMZBOCLSA-N
MW247.36 g/mol
LogP0.41
Rot. Bonds4

About (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol

(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 126846815) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID126846815
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol
SMILESCCCN(C1CCC1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C11H21NO3S/c1-2-6-12(9-4-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3/t10-,11-/m1/s1
InChIKeyRKPUKIFVCCRLLL-GHMZBOCLSA-N
XLogP0.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 102734359
2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 60886759
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656
4-[2-hydroxyethyl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 60665734
4-[azepan-4-yl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 107173469
N-ethyl-N-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]formamide
CID 99977195
4-[3-(diethylamino)propyl-ethylamino]-1,1-dioxothiolan-3-ol
CID 102995842
4-[bis(3-methylbutyl)amino]-1,1-dioxothiolan-3-ol
CID 103603363
4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
CID 63964217
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
CID 99976614

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol (CID 126846815) is (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol is CCCN(C1CCC1)[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is RKPUKIFVCCRLLL-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-2-6-12(9-4-3-5-9)10-7-16(14,15)8-11(10)13/h9-11,13H,2-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 247.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[cyclobutyl(propyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 126846815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).