2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

C10H18N2O4S — CID 79887030

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(O)CNC2CC2)S1(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-10(2)9(14)12(17(10,15)16)6-8(13)5-11-7-3-4-7/h7-8,11,13H,3-6H2,1-2H3
InChIKeyKYBHCZQRLHJZSS-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.95
Rot. Bonds5

About 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one

2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (PubChem CID 79887030) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
PubChem CID79887030
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
SMILESCC1(C)C(=O)N(CC(O)CNC2CC2)S1(=O)=O
InChIInChI=1S/C10H18N2O4S/c1-10(2)9(14)12(17(10,15)16)6-8(13)5-11-7-3-4-7/h7-8,11,13H,3-6H2,1-2H3
InChIKeyKYBHCZQRLHJZSS-UHFFFAOYSA-N
XLogP-0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one (CID 79887030) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is CC1(C)C(=O)N(CC(O)CNC2CC2)S1(=O)=O.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
The InChIKey is KYBHCZQRLHJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2)9(14)12(17(10,15)16)6-8(13)5-11-7-3-4-7/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one has a molecular weight of 262.33 g/mol, XLogP of -0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one is sourced from PubChem (CID 79887030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).