4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol

C9H17NO3S — CID 60885296

IUPAC4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC2CCC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-6-14(12,13)5-8(9)10-4-7-2-1-3-7/h7-11H,1-6H2
InChIKeyOLISFYCWQYADBH-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.47
Rot. Bonds3

About 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol

4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol (PubChem CID 60885296) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol
PubChem CID60885296
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(NCC2CCC2)C1
InChIInChI=1S/C9H17NO3S/c11-9-6-14(12,13)5-8(9)10-4-7-2-1-3-7/h7-11H,1-6H2
InChIKeyOLISFYCWQYADBH-UHFFFAOYSA-N
XLogP-0.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isobutylamino-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 16187036
1,1-Dioxo-4-(piperidin-4-ylamino)thiolan-3-ol
CID 23605653
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
1,1-Dioxo-4-(5,5,5-trifluoropentylamino)thiolan-3-ol
CID 113323221
(4S)-3-{[(1R,2R)-2-fluorocyclopentyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021279
(4S)-3-{[(1R,2R)-2-fluorocyclohexyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione
CID 168021344
4-(Cyclohexylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 307375
4-(2-Methylpropylamino)-1,1-dioxothiolan-3-ol chloride
CID 21179787
[4-(2-Methylpropylsulfonyl)pyrrolidin-2-yl]methanol
CID 67293899
(1S)-2-tert-butylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 146253534
(1R)-2-tert-butylsulfonyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 155141447
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol (CID 60885296) is 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(NCC2CCC2)C1.
What is the InChIKey of 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is OLISFYCWQYADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-9-6-14(12,13)5-8(9)10-4-7-2-1-3-7/h7-11H,1-6H2.
What are the key properties of 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol?
4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 219.31 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60885296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).