N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C11H21F3N2O2S — CID 106126308

IUPACN-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-1-7-19(17,18)16-8-9-2-4-10(15)5-3-9/h9-10,16H,1-8,15H2
InChIKeyDTTIOSVSULJRTF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds6

About N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106126308) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106126308
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCC(CNS(=O)(=O)CCCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-1-7-19(17,18)16-8-9-2-4-10(15)5-3-9/h9-10,16H,1-8,15H2
InChIKeyDTTIOSVSULJRTF-UHFFFAOYSA-N
XLogP1.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106126308) is N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is NC1CCC(CNS(=O)(=O)CCCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is DTTIOSVSULJRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)6-1-7-19(17,18)16-8-9-2-4-10(15)5-3-9/h9-10,16H,1-8,15H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106126308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).