1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine

C13H27F3N4O4S — CID 120778852

IUPAC1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine
SMILESCOCCN(CCOC)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H27F3N4O4S/c1-23-9-7-20(8-10-24-2)25(21,22)18-11-12(13(14,15)16)19-5-3-17-4-6-19/h12,17-18H,3-11H2,1-2H3
InChIKeyCPBSLGKDCZFIOW-UHFFFAOYSA-N
MW392.44 g/mol
LogP-0.75
Rot. Bonds11

About 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine

1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine (PubChem CID 120778852) has the molecular formula C13H27F3N4O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine
PubChem CID120778852
Molecular FormulaC13H27F3N4O4S
Molecular Weight392.44 g/mol
Exact Mass392.17
IUPAC Name1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine
SMILESCOCCN(CCOC)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H27F3N4O4S/c1-23-9-7-20(8-10-24-2)25(21,22)18-11-12(13(14,15)16)19-5-3-17-4-6-19/h12,17-18H,3-11H2,1-2H3
InChIKeyCPBSLGKDCZFIOW-UHFFFAOYSA-N
XLogP-0.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine?
The IUPAC name of 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine (CID 120778852) is 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine.
What is the SMILES notation for 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine?
The canonical SMILES for 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine is COCCN(CCOC)S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine?
The InChIKey is CPBSLGKDCZFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N4O4S/c1-23-9-7-20(8-10-24-2)25(21,22)18-11-12(13(14,15)16)19-5-3-17-4-6-19/h12,17-18H,3-11H2,1-2H3.
What are the key properties of 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine?
1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine has a molecular weight of 392.44 g/mol, XLogP of -0.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(2-methoxyethyl)sulfamoylamino]-1,1,1-trifluoropropan-2-yl]piperazine is sourced from PubChem (CID 120778852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).