2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H19F3N2S — CID 62568969

IUPAC2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCSC1
InChIInChI=1S/C10H19F3N2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyPSGQHTPZSCAHJD-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.96
Rot. Bonds5

About 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62568969) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62568969
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Name2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCSC1
InChIInChI=1S/C10H19F3N2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyPSGQHTPZSCAHJD-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,1,1-trifluoro-N-[(2S)-4-(3,3,3-trifluoropropylsulfanyl)butan-2-yl]butan-2-amine
CID 149317784
1-[Propyl-[2-(1,1,1-trifluoropropan-2-ylamino)ethyl]amino]ethanethiol
CID 170259011
3,3,3-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 43752712
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090302
4,4,4-Trifluoro-3-(1,4-thiazepan-4-yl)butan-2-amine
CID 61647812
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)butane-2,3-diamine
CID 61647856
1,1,1-trifluoro-2-N-methyl-2-N-(thiolan-3-yl)pentane-2,3-diamine
CID 61647857
N-(1,1-dioxothiolan-3-yl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554975
N-(1,1-dioxothiolan-3-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554991
N-(1,1-dioxothiolan-3-yl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555638
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62568969) is 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)C1CCSC1.
What is the InChIKey of 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is PSGQHTPZSCAHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2S/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(thiolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62568969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).