2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid

C9H16FNO2S — CID 81113762

IUPAC2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1CCCF
InChIInChI=1S/C9H16FNO2S/c10-2-1-3-11-4-5-14-7-8(11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyAZPNJKBYXARAOX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid

2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid (PubChem CID 81113762) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid
PubChem CID81113762
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1CCCF
InChIInChI=1S/C9H16FNO2S/c10-2-1-3-11-4-5-14-7-8(11)6-9(12)13/h8H,1-7H2,(H,12,13)
InChIKeyAZPNJKBYXARAOX-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-hydroxypentyl)thiomorpholin-3-yl]acetic acid
CID 66445509
2-[4-[4-(dimethylamino)-4-oxobutyl]thiomorpholin-3-yl]acetic acid
CID 66444935
2-(4-but-3-ynylthiomorpholin-3-yl)acetic acid
CID 66445342
2-[4-(2-cyclopropylethyl)thiomorpholin-3-yl]acetic acid
CID 66443767
2-[4-(2-methoxyethyl)thiomorpholin-3-yl]acetic acid
CID 66444150
2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733
2-[4-(2,2,2-trifluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66444400
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]thiomorpholin-3-yl]acetic acid
CID 66444787
2-[4-(2-propan-2-yloxyethyl)thiomorpholin-3-yl]acetic acid
CID 66444360
2-[4-(cyclobutylmethyl)thiomorpholin-3-yl]acetic acid
CID 66443385
2-(4-but-2-enylthiomorpholin-3-yl)acetic acid
CID 77134262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid (CID 81113762) is 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1CCCF.
What is the InChIKey of 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is AZPNJKBYXARAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c10-2-1-3-11-4-5-14-7-8(11)6-9(12)13/h8H,1-7H2,(H,12,13).
What are the key properties of 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 221.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 81113762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).