1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea

C8H15FN2OS — CID 130614724

IUPAC1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea
SMILESC[C@@H](CF)NC(=O)NC1CCSC1
InChIInChI=1S/C8H15FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7?/m0/s1
InChIKeyXHDOKRRRLYHPSX-PKPIPKONSA-N
MW206.29 g/mol
LogP1.15
Rot. Bonds3

About 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea

1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea (PubChem CID 130614724) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea
PubChem CID130614724
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea
SMILESC[C@@H](CF)NC(=O)NC1CCSC1
InChIInChI=1S/C8H15FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7?/m0/s1
InChIKeyXHDOKRRRLYHPSX-PKPIPKONSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-Ethylsulfanylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115662995
1-(4-Ethylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115663001
1-(Thiolan-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115690755
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CID 115899262
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea?
The IUPAC name of 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea (CID 130614724) is 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea is C[C@@H](CF)NC(=O)NC1CCSC1.
What is the InChIKey of 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea?
The InChIKey is XHDOKRRRLYHPSX-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15FN2OS/c1-6(4-9)10-8(12)11-7-2-3-13-5-7/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7?/m0/s1.
What are the key properties of 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea?
1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea has a molecular weight of 206.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea is sourced from PubChem (CID 130614724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).