1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine

C10H19FN2O2S — CID 115046718

IUPAC1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19FN2O2S/c11-7-10(12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2
InChIKeyVCCQSWANUMWLOL-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.06
Rot. Bonds2

About 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine

1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine (PubChem CID 115046718) has the molecular formula C10H19FN2O2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine
PubChem CID115046718
Molecular FormulaC10H19FN2O2S
Molecular Weight250.34 g/mol
Exact Mass250.12
IUPAC Name1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19FN2O2S/c11-7-10(12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2
InChIKeyVCCQSWANUMWLOL-UHFFFAOYSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
[1,1-Dioxo-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 63162948
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 63923614
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothian-3-amine
CID 105509021
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothian-4-amine
CID 105509022
3-(Fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115030968
[1-(1,1-Dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine
CID 115046719
1-(1,1-Dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine
CID 115049252
3-(Difluoromethyl)-1-(1,1-dioxothian-4-yl)pyrrolidin-3-amine
CID 115049969
3-Fluoro-3-(piperazin-1-ylmethyl)thiolane 1,1-dioxide
CID 126845943
1-[(3-Fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 126845984
1,1-dioxo-N-(2-pyrrolidin-1-ylethyl)thian-4-amine
CID 43511611

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine (CID 115046718) is 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine is NC1(CF)CCN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine?
The InChIKey is VCCQSWANUMWLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2S/c11-7-10(12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2.
What are the key properties of 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine?
1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115046718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).