N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine

C14H21FN2O2S — CID 63794309

IUPACN-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(N)Cc1ccc(N(C)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-10(16)7-11-3-4-14(13(15)8-11)17(2)12-5-6-20(18,19)9-12/h3-4,8,10,12H,5-7,9,16H2,1-2H3
InChIKeyDRYLHPHQSSTBCQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.34
Rot. Bonds4

About N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 63794309) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID63794309
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(N)Cc1ccc(N(C)C2CCS(=O)(=O)C2)c(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-10(16)7-11-3-4-14(13(15)8-11)17(2)12-5-6-20(18,19)9-12/h3-4,8,10,12H,5-7,9,16H2,1-2H3
InChIKeyDRYLHPHQSSTBCQ-UHFFFAOYSA-N
XLogP1.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-4-[(propan-2-ylamino)methyl]phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648979
N-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 78935007
N-[4-(2-aminopropyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63793779
N-[4-(2-aminopropyl)-2-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 63793431
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648817
N-[4-(aminomethyl)-2-bromophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 82794465
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
1-N-(1,1-dioxothiolan-3-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 43648562
4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 43648523
2-amino-6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-fluorobenzoic acid
CID 83215739

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 63794309) is N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine is CC(N)Cc1ccc(N(C)C2CCS(=O)(=O)C2)c(F)c1.
What is the InChIKey of N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is DRYLHPHQSSTBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10(16)7-11-3-4-14(13(15)8-11)17(2)12-5-6-20(18,19)9-12/h3-4,8,10,12H,5-7,9,16H2,1-2H3.
What are the key properties of N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 300.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 63794309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).